data_2dat_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 2dat _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 ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 167.51 24.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.96 32.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -75.7 -35.37 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 tt -81.96 -59.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.4 m -46.75 -49.75 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -53.82 -50.01 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -48.09 -52.46 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.7 mtt -54.96 -52.99 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -54.01 -57.34 11.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.01 -61.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' A' ' 112' ' ' PHE . 71.9 mt -47.49 -73.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 25' ' ' VAL . 17.2 mm -48.35 -65.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 37.7 t70 -35.59 -35.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ILE . 71.0 m -82.57 -42.56 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ILE . 50.4 t -63.43 -50.23 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 HD11 ' CG2' ' A' ' 22' ' ' ILE . 89.9 mt -65.9 -32.77 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 97.6 m-20 -83.07 -23.25 33.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CE1' HG13 ' A' ' 107' ' ' VAL . 3.4 t80 -54.4 134.91 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -49.52 -19.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -52.03 -50.87 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.69 3.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -120.57 14.25 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.6 mm -82.83 -69.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -107.67 153.75 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 14.2 mt -113.47 159.05 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.77 144.25 53.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -62.41 172.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -79.92 -26.73 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -77.05 -54.95 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.62 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' CD1' ' CG ' ' A' ' 51' ' ' GLU . 56.9 tp -124.51 81.73 59.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.84 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 3.2 pt-20 -40.67 -40.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.429 ' CE1' HG13 ' A' ' 56' ' ' ILE . 64.0 t80 -48.46 -44.14 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 46' ' ' ARG . 95.2 m-85 -77.54 -15.71 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 53.0 mm-40 -74.04 -49.11 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -82.04 -48.21 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.429 HG13 ' CE1' ' A' ' 52' ' ' TYR . 6.0 mm -65.55 132.94 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -76.64 -62.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -127.22 82.58 67.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 7.3 p -92.69 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.46 ' N ' ' CG2' ' A' ' 60' ' ' VAL . 1.8 p-10 -123.47 -175.22 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.1 -39.3 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -57.63 -31.82 66.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -77.39 -46.69 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mt -53.8 -40.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -74.4 -40.88 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.23 -28.48 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -72.12 -45.76 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.1 mt -55.52 -39.45 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -80.9 -12.02 59.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -101.26 12.8 36.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 50.58 30.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -74.83 -66.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -50.2 128.74 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -84.3 -43.19 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.4 t -138.61 167.11 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.3 tp -52.88 -47.83 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.59 -52.71 3.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.18 -45.82 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.0 -41.51 78.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.85 -42.18 98.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -44.84 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.3 m-20 -77.78 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' ASP . 93.0 t -36.82 -54.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.521 ' HE1' ' CD2' ' A' ' 112' ' ' PHE . 39.0 mmt -62.33 -33.91 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -67.04 -53.26 32.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.58 -30.87 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.66 -55.56 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -48.14 -50.07 30.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.61 -40.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 94' ' ' PHE . . . -66.04 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -42.94 -24.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 91' ' ' ALA . 62.5 m -81.79 -39.87 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 91' ' ' ALA . 2.5 t80 -86.33 -57.16 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.595 ' ND2' ' CG2' ' A' ' 101' ' ' ILE . 38.9 m-80 -69.5 132.35 46.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.17 162.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 26.7 mt-10 -70.1 169.3 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.12 32.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -97.44 -177.0 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -50.35 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.595 ' CG2' ' ND2' ' A' ' 95' ' ' ASN . 11.5 mm -74.19 -27.85 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 54.2 t80 -58.29 -72.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' TYR . 44.1 mt-10 -36.22 -51.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -45.31 -57.38 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -44.09 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 102' ' ' TYR . 5.3 mp -58.47 -40.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.484 HG13 ' CE1' ' A' ' 28' ' ' TYR . 93.7 t -63.46 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.5 mt -40.13 -38.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -64.64 -52.05 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -54.16 -34.32 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.4 t -73.44 -38.24 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.521 ' CD2' ' HE1' ' A' ' 85' ' ' MET . 87.5 t80 -57.08 -58.34 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -56.73 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -49.3 -50.61 38.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 21' ' ' ILE . . . -45.19 -54.78 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ALA . 4.9 mtp-105 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.68 20.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -17.6 37.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -86.4 -33.68 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' HE2' ' A' ' 18' ' ' MET . 2.6 tm? -85.37 -56.17 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.2 m -48.18 -53.68 16.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLN . 39.8 mmtt -52.79 -46.42 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 21.7 tt0 -37.68 -61.0 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.458 ' HE2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -48.02 -52.25 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -56.83 -58.06 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.22 -45.14 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 112' ' ' PHE . 77.4 mt -66.91 -72.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 23' ' ' ASP . 13.1 mm -44.18 -58.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.1 m-20 -34.65 -55.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -55.36 24.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 89.8 t -47.54 -59.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.44 ' CD1' HG23 ' A' ' 22' ' ' ILE . 97.0 mt -61.31 -41.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -96.9 41.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.71 143.76 32.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -61.32 -9.17 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.43 -44.06 62.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.7 m -83.37 -0.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -113.67 3.41 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.9 mm -74.7 -74.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -99.42 131.96 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.461 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.6 mt -91.3 157.46 42.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.78 126.97 13.91 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -58.79 159.3 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -66.27 -48.04 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -56.1 -42.0 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -71.01 -56.75 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -133.33 80.88 57.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -33.92 15.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 4.9 pt-20 -50.02 -36.41 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CE1' HG13 ' A' ' 56' ' ' ILE . 76.2 t80 -59.49 -37.33 77.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -74.41 -16.63 60.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.55 -54.09 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -73.85 -47.13 40.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.562 HG13 ' CE1' ' A' ' 52' ' ' TYR . 4.5 mm -67.71 155.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -113.17 -45.36 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -127.19 81.72 69.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.08 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 p -101.12 159.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.99 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.5 -18.07 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -82.43 -31.76 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -70.9 -48.54 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.02 -47.39 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' ARG . 50.6 mtmt -68.32 -46.34 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 45.4 tt0 -39.5 -26.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' LYS . 1.3 mpt_? -86.95 -45.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.6 mt -49.84 -51.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -71.31 -19.66 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 84.8 m-20 -99.12 7.27 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 45.44 50.47 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -93.69 -27.08 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -77.43 131.28 37.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.5 -38.23 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.9 m -153.42 164.62 37.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 tp -56.55 -42.33 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.86 -25.78 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.97 -53.51 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.1 tp -39.73 -44.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.9 tt0 -54.94 -60.91 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' GLU . 31.9 mttm -35.93 -40.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.46 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 t -44.33 -57.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.7 mmt -54.22 -37.79 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.37 -51.82 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.6 -30.58 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.19 -38.6 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -62.93 -42.82 99.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -51.16 -38.45 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.99 -26.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 m -75.85 -37.58 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 55' ' ' LEU . 3.3 t80 -91.06 -57.82 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -62.21 143.13 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 3.9 mm? -64.77 166.29 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 25.3 mt-10 -71.58 162.89 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.26 33.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -95.42 168.18 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.66 -61.89 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 mt -64.88 -42.79 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.544 ' CD2' HD13 ' A' ' 106' ' ' ILE . 18.6 t80 -42.73 -66.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -40.1 -45.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -55.92 -57.57 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.6 p -43.26 -42.62 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.544 HD13 ' CD2' ' A' ' 102' ' ' TYR . 5.2 mp -68.32 -44.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.8 t -57.7 -60.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.1 mt -35.61 -49.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.35 -62.59 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.9 t -46.1 -32.55 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.44 -42.33 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 21' ' ' ILE . 60.7 t80 -52.54 -58.38 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -52.93 -52.77 56.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -53.96 -33.03 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -78.96 -15.82 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.26 28.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.53 26.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -53.54 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CD2' ' HE2' ' A' ' 18' ' ' MET . 8.0 tt -66.79 -50.49 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -52.48 -56.02 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -48.51 -48.48 38.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -44.92 -52.73 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.467 ' HE2' ' CD2' ' A' ' 14' ' ' LEU . 40.1 mtt -49.59 -51.18 39.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -57.96 -52.52 65.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -47.37 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.2 mt -63.4 -67.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' VAL . 9.9 mm -48.08 -62.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 4.5 t70 -37.08 -59.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -34.47 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ILE . 47.7 t -70.21 -65.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.467 ' CD1' ' HD2' ' A' ' 66' ' ' LYS . 97.1 mt -55.58 -43.2 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 2.3 m-20 -63.46 -36.48 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD2' HG11 ' A' ' 111' ' ' VAL . 36.1 t80 -41.62 149.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 pttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 38' ' ' GLU . 2.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 p -44.56 -22.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 9.4 mm-40 -47.21 -48.6 23.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.477 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 12.6 m -81.74 -5.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 58.2 m-85 -115.29 13.18 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.59 -75.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -106.12 165.57 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.25 155.77 40.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.4 54.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' GLU . 43.5 m -73.1 122.92 22.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' SER . 20.1 ttp180 -36.31 -55.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.58 -42.57 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' SER . 31.6 mm-40 -67.86 -59.13 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.555 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 39.4 tp -129.44 77.04 78.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 49' ' ' LEU . 5.9 pt-20 -41.22 -49.36 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CE1' HG13 ' A' ' 56' ' ' ILE . 25.1 t80 -36.92 -44.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -70.12 -38.72 75.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' GLU . 7.1 mm-40 -48.38 -51.3 27.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -48.77 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.549 HG13 ' CE1' ' A' ' 52' ' ' TYR . 31.6 mm -69.59 117.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -67.24 -68.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -117.02 89.13 28.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 151.22 68.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.4 p -158.06 153.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 4.6 p-10 -131.4 -175.22 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -74.37 -41.65 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -49.38 -50.83 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 34.9 mt -47.86 -48.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.1 mtpp -65.45 -31.18 72.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -59.44 -53.06 62.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.415 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 38.8 mtp85 -47.19 -43.81 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -57.84 -57.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -64.77 -18.12 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' HIS . 35.3 m-20 -99.35 18.97 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' ASN . 82.6 m-70 36.08 40.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -91.05 -38.25 12.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CE2' HD12 ' A' ' 80' ' ' LEU . 6.4 m-85 -57.96 110.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -55.31 -40.25 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -163.88 163.01 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 tp -49.23 -44.69 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.23 -49.44 6.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 m-20 -54.43 -54.28 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 50.6 tp -35.02 -50.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -51.67 -55.93 16.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -42.59 -46.87 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.18 -64.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.426 HG12 ' CE ' ' A' ' 85' ' ' MET . 86.1 t -41.77 -56.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.426 ' CE ' HG12 ' A' ' 84' ' ' VAL . 31.7 mmt -55.45 -39.73 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.3 tp -63.45 -42.17 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 88' ' ' CYS . 3.0 tt -55.63 -41.75 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.459 ' N ' HD22 ' A' ' 87' ' ' LEU . 45.2 m -68.57 -52.15 34.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ASN . 20.9 t60 -45.1 -54.47 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' HIS . 87.6 m-20 -37.88 -45.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.85 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -43.73 -29.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -78.75 -47.83 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 1.7 t80 -70.48 -55.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -81.32 164.39 22.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -88.87 -179.0 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 10.7 mt-10 -73.0 164.2 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.93 31.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.4 t -92.92 167.7 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -49.19 -59.83 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.438 HG23 ' ND2' ' A' ' 95' ' ' ASN . 42.2 mt -70.63 -37.54 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 22.3 t80 -42.36 -69.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -39.4 -51.68 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.09 -54.3 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 p -51.83 -44.0 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.554 HD12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 mp -62.73 -48.44 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.2 t -57.31 -60.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 107' ' ' VAL . 90.9 mt -34.61 -48.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.36 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 t -45.47 -36.85 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 28' ' ' TYR . 18.9 t -68.57 -51.14 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -42.93 -62.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -42.88 -62.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -44.02 -42.58 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.74 -58.96 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.83 20.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.4 20.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.19 -56.89 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -47.81 -57.24 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -49.41 -59.84 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' NE2' HD12 ' A' ' 77' ' ' LEU . 8.4 tt0 -44.63 -50.7 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.6 mtm -54.47 -59.59 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -53.26 -57.92 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.83 -39.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.41 HG22 ' CE2' ' A' ' 112' ' ' PHE . 52.7 mt -71.18 -56.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 26' ' ' ILE . 8.8 mm -63.45 -61.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.7 t70 -34.38 -45.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.8 m -67.74 -57.31 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -46.38 -59.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 22' ' ' ILE . 96.4 mt -59.1 -39.58 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 75.1 m-20 -98.75 40.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 3.4 t80 -109.6 140.24 43.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.425 ' CB ' HD21 ' A' ' 108' ' ' LEU . 7.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 53.3 p -47.47 -20.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -43.24 -63.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -66.36 -8.33 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 49.8 m-85 -117.89 21.13 13.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 63' ' ' LYS . 14.7 mm -68.93 -74.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 8.7 pt20 -112.83 176.78 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.7 mt -129.37 157.02 77.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -41.74 147.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -60.53 -52.3 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.34 -59.6 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 26.6 tp -115.28 82.01 8.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.656 0.741 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -37.09 9.5 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 8.1 pt-20 -52.53 -45.34 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -48.03 -40.49 22.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.445 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 11.0 m-85 -79.66 -21.72 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.79 -54.38 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -72.81 -47.13 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -68.42 147.09 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -93.81 -46.47 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -132.23 84.51 52.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 54.4 Cg_endo -69.7 83.61 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 p -107.15 165.21 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -145.86 -179.24 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 9.4 m-85 -68.58 -52.07 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.462 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 18.3 mtpp -42.87 -41.26 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' ILE . 4.9 mmmm -72.53 -62.88 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 58.1 mt -38.03 -42.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -72.86 -43.42 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.79 -46.44 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' CD ' ' HE3' ' A' ' 73' ' ' LYS . 69.9 mtt180 -59.33 -46.83 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.9 mt -52.37 -50.21 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.22 -25.64 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' HIS . 44.1 m-20 -94.45 20.1 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ASN . 7.6 m-70 36.42 35.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HE3' ' CD ' ' A' ' 68' ' ' ARG . 6.8 ttpp -79.07 -51.55 9.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 5.3 m-85 -49.36 164.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -119.01 -36.83 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.3 m -160.77 156.38 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.432 HD12 ' NE2' ' A' ' 17' ' ' GLN . 11.9 mt -41.48 -43.52 2.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.0 -39.88 3.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.29 -46.59 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.52 -40.2 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.12 -61.26 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -54.09 -29.49 44.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.36 -38.26 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.436 HG11 ' CD2' ' A' ' 112' ' ' PHE . 98.5 t -68.5 -54.19 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.8 mmt -57.91 -28.87 64.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 tp -73.54 -37.31 65.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.43 ' C ' HD22 ' A' ' 87' ' ' LEU . 1.7 tt -61.27 -23.85 65.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.28 -51.43 7.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' ASN . 5.9 t60 -53.29 -54.04 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' HIS . 89.6 m-20 -36.37 -37.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.58 -53.74 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.413 ' HA ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 mt-30 -50.63 -18.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.0 m -89.85 -53.55 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' A' ' 55' ' ' LEU . 1.8 t80 -83.44 -59.92 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.49 156.94 9.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 17.5 mt-10 -94.85 157.97 15.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.71 29.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 m -110.06 178.88 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -44.89 -67.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 58.9 mt -49.68 -53.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 16.3 t80 -45.35 -60.48 2.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -48.45 -44.44 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 104' ' ' ASP . 38.9 t0 -57.86 -51.92 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.2 p -48.76 -41.65 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.401 HD11 ' CE2' ' A' ' 102' ' ' TYR . 2.7 mp -68.55 -37.25 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.2 t -59.52 -53.19 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' VAL . 77.8 mt -34.31 -55.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -41.7 -66.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t -41.98 -35.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.453 HG12 ' CG ' ' A' ' 28' ' ' TYR . 27.1 t -72.38 -48.2 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.436 ' CD2' HG11 ' A' ' 84' ' ' VAL . 31.3 t80 -53.77 -46.21 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -61.59 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.2 t -42.59 -37.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.44 -57.32 5.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.77 20.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -12.94 34.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -91.92 -20.09 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -96.02 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -43.99 -38.55 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLN . 1.7 tmtp? -67.76 -51.52 48.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' LYS . 13.0 tt0 -34.49 -54.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 mtt -61.81 -53.74 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -47.5 -49.18 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -59.31 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -53.85 -60.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 84' ' ' VAL . 8.7 mm -56.14 -67.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -38.68 -38.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.48 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 33.2 m -64.19 -51.33 64.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . 58.9 t -65.92 -58.24 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 22' ' ' ILE . 48.5 mt -41.82 -25.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -99.76 -32.52 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.518 ' CG ' HG21 ' A' ' 111' ' ' VAL . 3.7 t80 -39.7 132.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 p -42.75 -24.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 16.4 mt-10 -43.38 -63.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.96 -8.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 108' ' ' LEU . 85.7 m-85 -111.03 20.05 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -83.5 -57.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.441 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 17.5 pt20 -131.96 163.68 27.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 59' ' ' PRO . 16.2 mt -110.42 159.53 31.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ARG . 11.7 t -42.79 125.72 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.3 ttm180 -35.49 -42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.12 -52.61 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -59.3 -51.87 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 tp -132.92 79.7 62.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.36 12.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.85 -42.0 71.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.488 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 11.6 t80 -53.77 -27.5 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -87.35 -17.59 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.25 -57.97 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -38.42 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 26.2 mm -75.27 119.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -61.15 -59.74 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -132.52 97.35 17.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.689 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.8 84.01 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.17 149.94 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.47 168.55 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -52.34 -30.0 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.441 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 12.6 mtpp -65.29 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -86.08 -48.27 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -49.59 -36.22 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -78.85 -41.92 28.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.27 -59.89 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -43.74 -52.41 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.4 mt -48.75 -45.82 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -70.24 -25.5 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -98.19 10.27 40.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 43.56 48.12 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -87.38 -37.35 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -66.42 157.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -97.5 -37.45 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.9 p -168.39 159.47 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 tp -38.26 -37.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.7 -47.45 9.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -62.56 -58.03 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' ASP . 11.6 tp -34.42 -51.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.36 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -42.14 -44.54 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 112' ' ' PHE . 79.8 t -69.02 -28.15 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -47.49 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.1 -57.64 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -38.53 -43.87 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.419 ' N ' HD23 ' A' ' 87' ' ' LEU . 88.6 m -67.1 -63.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -40.38 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -37.33 -50.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.04 -45.13 64.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -70.02 -30.58 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.1 m -67.0 -32.15 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -94.47 -53.19 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.96 158.0 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.01 169.67 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 99' ' ' SER . 42.9 mp0 -79.2 169.44 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.4 30.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.2 t -94.16 165.45 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -53.35 -45.68 69.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.5 mt -75.86 -49.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.478 ' CE2' HD12 ' A' ' 106' ' ' ILE . 54.9 t80 -37.25 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.57 -44.51 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.21 -59.27 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 p -45.06 -43.16 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.478 HD12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 mp -64.69 -34.39 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 110' ' ' SER . 99.2 t -72.5 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 40' ' ' PHE . 42.7 mt -38.43 -36.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -66.66 -44.32 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' VAL . 1.7 t -62.1 -30.99 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 28' ' ' TYR . 18.9 t -72.52 -43.35 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CD2' HG13 ' A' ' 84' ' ' VAL . 22.5 t80 -58.16 -55.04 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.48 -52.08 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -56.2 -60.99 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.85 -31.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttt-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.09 43.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 -34.37 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' CD1' ' HE1' ' A' ' 18' ' ' MET . 2.1 tm? -82.6 -56.1 4.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -44.24 -42.6 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLN . 33.4 mttm -67.33 -57.23 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.7 tp60 -34.8 -57.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 14' ' ' LEU . 8.0 mtm -54.2 -53.2 56.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -52.23 -49.71 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.64 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mt -66.46 -66.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASP . 10.1 mm -48.21 -59.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ILE . 23.7 t0 -33.84 -53.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -63.42 -46.64 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.29 -60.27 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.88 -35.6 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.23 44.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CD2' HG21 ' A' ' 111' ' ' VAL . 33.0 t80 -103.66 134.05 47.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 pttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 82.1 p -48.09 -19.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -49.01 -57.79 5.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.92 -3.1 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.47 18.38 16.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mm -88.22 -60.53 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.58 158.65 16.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.2 mt -127.07 156.19 74.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.65 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -41.48 146.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -54.21 -25.52 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -72.56 -56.67 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.31 -63.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 15.0 tp -119.41 83.49 26.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -41.85 3.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 16.7 pt-20 -47.88 -48.84 31.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.469 ' CZ ' HG13 ' A' ' 56' ' ' ILE . 83.0 t80 -42.48 -48.57 5.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.61 -31.04 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' GLU . 73.3 mt-10 -60.39 -57.64 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -44.17 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.469 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 19.1 mm -67.14 126.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -65.1 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -132.49 93.18 25.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 91.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.497 ' CG1' ' OD1' ' A' ' 83' ' ' ASP . 12.7 p -104.64 133.84 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' PHE . 50.5 p-10 -111.82 148.33 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 6.8 m-85 -36.74 -63.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' PHE . 13.5 mtpp -34.58 -58.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 67' ' ' GLU . 16.1 tppt? -50.52 -59.2 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.5 mt -41.8 -37.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.486 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.97 -37.33 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' LYS . 10.1 tt0 -49.14 -51.69 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' ASN . 39.4 mtp85 -53.01 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.3 mt -38.44 -40.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -80.49 -34.09 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' ARG . 39.3 m-20 -87.59 22.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.68 -37.78 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.496 ' CE2' HD12 ' A' ' 80' ' ' LEU . 3.8 m-85 -64.63 145.31 56.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -99.49 -34.93 10.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 m -163.59 157.72 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -42.48 -51.57 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.28 -48.04 3.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 -55.51 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' CE2' ' A' ' 74' ' ' TYR . 25.2 tp -41.44 -49.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.9 tt0 -49.87 -59.23 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 28.0 mtpp -34.41 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.497 ' OD1' ' CG1' ' A' ' 60' ' ' VAL . 10.4 t0 -73.7 -60.04 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.459 HG22 ' CE1' ' A' ' 112' ' ' PHE . 85.3 t -40.08 -50.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.54 -32.81 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.4 tm? -67.53 -41.46 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 HD21 ' N ' ' A' ' 88' ' ' CYS . 0.9 OUTLIER -60.36 -37.9 82.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.466 ' N ' HD21 ' A' ' 87' ' ' LEU . 80.0 m -71.47 -58.4 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 89' ' ' HIS . 3.1 t60 -46.56 -47.21 19.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -52.79 -36.35 58.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.06 -59.71 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.83 -29.78 29.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.5 m -59.56 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.71 -53.44 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.03 165.51 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 4.2 mm? -92.27 162.85 14.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 99' ' ' SER . 30.5 mt-10 -68.33 159.56 31.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 33.96 32.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' GLU . 36.4 t -94.4 153.3 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 99' ' ' SER . 8.6 tp-100 -34.15 -57.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . 71.5 mt -68.61 -45.72 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' ILE . 20.5 t80 -36.72 -61.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -49.52 -39.21 33.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 4.5 m-20 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -54.79 -43.02 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.49 -55.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' LEU . 95.4 t -50.8 -57.31 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.1 mt -36.03 -52.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -47.96 -58.17 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.16 -32.43 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 28' ' ' TYR . 15.3 t -72.62 -52.35 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.459 ' CE1' HG22 ' A' ' 84' ' ' VAL . 75.2 t80 -52.44 -53.98 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -57.02 -46.04 82.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -59.25 -36.66 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.59 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.41 ' HG2' ' CB ' ' A' ' 14' ' ' LEU . 53.7 Cg_endo -69.72 168.62 21.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.98 17.46 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -72.51 -29.75 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -91.81 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -43.92 -43.51 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -68.96 -55.35 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.7 -56.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.423 ' HE3' ' CD1' ' A' ' 14' ' ' LEU . 6.7 mtm -53.04 -54.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -53.75 -59.47 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.28 -47.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.76 -64.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 15.2 mm -53.2 -60.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.9 t0 -34.34 -48.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 m -66.32 -51.65 55.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 46.7 t -59.24 -23.26 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.485 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 73.4 mt -97.26 -25.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 10.7 p30 -105.62 16.57 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 29' ' ' LYS . 34.6 t80 -81.14 146.5 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CE2' ' A' ' 28' ' ' TYR . 9.9 ptpp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -53.02 -16.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -53.12 -44.05 67.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -80.85 -4.33 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 85.6 m-85 -115.01 13.74 17.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.28 -57.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.9 -175.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 mt -134.41 158.43 75.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.4 ' CG ' HD21 ' A' ' 49' ' ' LEU . 54.1 Cg_endo -69.73 132.24 22.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 t -50.93 156.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -64.8 -46.49 81.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -44.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.97 -56.84 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 44' ' ' PRO . 51.8 tp -123.95 75.27 57.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.82 15.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.75 -38.06 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -57.19 -21.73 35.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.9 -7.18 37.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.18 -53.85 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.39 -34.21 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.6 mm -78.91 139.56 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -82.33 -58.16 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -132.37 85.51 48.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.55 0.69 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 15.0 p -94.81 164.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -136.33 153.63 51.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -54.12 -28.98 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -65.85 -25.85 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.99 -48.45 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.99 -35.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HD3' ' CG2' ' A' ' 22' ' ' ILE . 2.6 mmmm -80.09 -37.02 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.01 -41.8 62.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.6 mtt-85 -65.65 -54.83 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.9 mt -46.85 -56.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 10.4 ptm180 -59.36 -31.64 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 26.0 m-20 -94.47 20.68 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 39.24 29.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.675 ' HZ1' ' N ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -66.49 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.675 ' N ' ' HZ1' ' A' ' 73' ' ' LYS . 12.8 m-85 -37.86 146.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -92.42 -34.73 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 77' ' ' LEU . 35.3 p -165.77 152.25 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' SER . 4.0 tp -35.97 -42.94 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.4 -48.37 3.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.37 -49.57 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.68 -64.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LYS . 59.1 tt0 -41.62 -63.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 81' ' ' GLU . 41.7 mtmt -35.76 -47.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -49.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 112' ' ' PHE . 89.8 t -49.63 -54.51 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.4 mmt -62.4 -28.92 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -53.04 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.67 -37.86 30.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.6 m -77.19 -51.65 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -49.72 -54.33 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -49.62 -36.6 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.78 -63.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -47.15 -35.34 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.2 m -61.72 -36.74 81.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -92.97 -58.8 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -58.35 135.19 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.07 153.91 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 99' ' ' SER . 28.0 mt-10 -67.89 171.25 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.89 31.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -98.25 -178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -65.02 -56.68 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.24 -47.56 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 41.0 t80 -38.19 -70.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -40.0 -40.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 1.0 OUTLIER -60.97 -55.96 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.9 p -44.39 -37.08 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -72.36 -38.27 60.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' LEU . 57.9 t -63.61 -57.13 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' VAL . 37.7 mt -35.93 -48.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -51.54 -55.61 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -34.43 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.4 t -71.39 -43.98 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.46 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 62.4 t80 -50.15 -63.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 116' ' ' ARG . 21.8 mtpt -44.54 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m -38.14 -47.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.55 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' LYS . 36.0 tpt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 160.07 51.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.78 35.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -86.19 -38.49 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.72 -54.17 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 m -51.93 -53.28 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -46.14 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -40.59 -54.79 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' A' ' 74' ' ' TYR . 7.8 mtt -50.89 -51.49 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.6 m-80 -60.81 -59.63 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.64 -44.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.4 mt -65.67 -72.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 14.3 mm -43.81 -55.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' ILE . 15.4 t0 -38.18 -50.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.3 m -66.61 -59.2 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.4 t -45.46 -62.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.458 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 80.1 mt -52.56 -41.74 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -100.69 46.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 8.8 t80 -103.82 153.14 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 19.0 pttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.0 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 40' ' ' PHE . 3.9 p -42.56 -24.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 21.4 mt-10 -36.53 -70.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -62.96 -15.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 37' ' ' SER . 50.8 m-85 -103.95 20.36 18.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mm -85.0 -67.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 11.5 tm0? -119.06 147.02 44.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 11.5 mt -98.62 156.02 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.9 66.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -67.08 120.09 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -42.16 -43.3 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -50.55 -49.18 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -73.58 -45.27 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 51' ' ' GLU . 41.6 tp -127.73 76.37 77.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.09 3.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' HD12 ' A' ' 49' ' ' LEU . 6.4 pt-20 -46.74 -43.82 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -50.14 -35.98 28.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -81.51 -20.86 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.57 -55.84 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -40.83 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.2 mm -74.58 134.46 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -80.81 -57.97 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.68 86.78 57.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.74 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.2 p -109.8 163.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.413 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 14.8 m-20 -142.95 -176.82 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.409 ' CD1' ' CG1' ' A' ' 26' ' ' ILE . 29.1 m-85 -71.1 -17.86 62.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' HE2' ' A' ' 64' ' ' LYS . 19.0 mtpp -78.19 -28.43 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HE2' ' CA ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -88.47 -43.42 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.31 -52.05 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' GLU . 24.3 mttt -59.86 -55.43 34.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LYS . 23.3 mt-10 -38.13 -53.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -50.36 -49.15 54.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.2 mt -51.12 -65.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -12.39 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.17 1.22 57.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 56.49 36.94 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -49.74 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HB3' ' CE ' ' A' ' 18' ' ' MET . 4.9 m-85 -49.94 118.36 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -74.58 -38.0 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -152.1 172.13 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.34 -33.55 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.89 88.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.39 -43.09 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.41 -49.66 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' OE1' ' CE1' ' A' ' 112' ' ' PHE . 4.6 tp10 -48.3 -54.64 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -44.43 -54.22 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.86 -53.91 49.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.2 t -46.59 -54.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.2 mmt -60.33 -29.28 68.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.4 -54.91 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' C ' HD21 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -46.62 -37.64 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 57.2 m -72.46 -57.27 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -45.29 -60.08 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 59' ' ' PRO . 62.8 m-20 -40.44 -29.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.44 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.09 -22.35 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.1 m -76.03 -28.67 57.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -103.52 -57.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.472 ' ND2' HG21 ' A' ' 101' ' ' ILE . 41.2 m-80 -67.65 138.88 56.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mp -52.72 -178.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 30.7 mt-10 -84.58 165.11 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.18 32.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 40.8 t -97.81 166.66 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.817 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -41.9 -51.74 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.472 HG21 ' ND2' ' A' ' 95' ' ' ASN . 7.4 mm -67.69 -49.24 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 8.7 t80 -41.19 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -48.97 -54.94 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.98 -46.66 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 p -59.53 -44.04 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.0 -42.02 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.09 -55.31 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.3 mt -38.86 -44.51 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -55.95 -55.45 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -53.57 -24.08 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.0 t -82.98 -47.42 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.424 ' CE1' ' OE1' ' A' ' 81' ' ' GLU . 51.1 t80 -54.97 -50.05 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -56.6 -64.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -52.91 -39.14 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -69.53 -45.62 68.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.73 -57.44 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 m -42.79 -49.02 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLN . 53.6 mttm -59.84 -58.47 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . 36.8 tt0 -35.63 -56.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.8 mtt -51.65 -52.17 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ALA . 69.0 m-20 -58.16 -59.62 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -36.19 -36.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.96 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 26' ' ' ILE . 9.1 mm -49.03 -56.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 10.0 t70 -38.14 -59.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.8 m -56.7 -41.36 77.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.1 -62.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 22' ' ' ILE . 90.7 mt -57.81 -36.47 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 43.2 m-20 -69.95 -39.73 75.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -41.25 148.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 p -42.45 -23.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.6 mt-10 -50.62 -51.54 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 40' ' ' PHE . 2.0 m -73.93 2.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.47 ' CD2' HG21 ' A' ' 39' ' ' VAL . 93.6 m-85 -117.73 4.99 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mm -73.11 -73.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -99.36 152.49 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.3 mt -103.05 159.21 29.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.646 0.736 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.76 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -47.67 135.97 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PRO . 83.6 mtm180 -53.01 -41.34 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -54.47 -54.79 36.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.07 -55.83 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 94' ' ' PHE . 59.0 tp -125.58 74.78 69.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.74 -49.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' CG ' HD13 ' A' ' 49' ' ' LEU . 9.5 pt-20 -40.42 -43.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 2.5 t80 -43.87 -42.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -72.0 -32.35 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -56.49 -61.69 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -47.34 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.71 135.79 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -87.98 -63.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -111.73 81.23 3.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 80.0 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -95.03 152.54 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.06 -176.06 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.38 -36.41 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 14.8 mmmt -58.76 -48.13 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -61.34 -59.27 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -39.01 -47.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -62.95 -54.59 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 63' ' ' LYS . 1.4 mp0 -43.51 -60.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 9.4 mmm180 -37.99 -50.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mt -55.99 -43.57 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -70.67 -30.39 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' HIS . 31.8 m-20 -94.33 21.36 7.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ASN . 56.8 m-70 37.71 51.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -41.97 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.1 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -91.15 -38.71 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 t -150.15 169.52 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.37 -49.31 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.38 -40.33 2.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -57.25 -51.99 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.6 tp -51.78 -43.67 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.79 -48.47 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.98 -54.87 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -61.14 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.455 HG12 ' CE ' ' A' ' 85' ' ' MET . 90.9 t -39.43 -57.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.455 ' CE ' HG12 ' A' ' 84' ' ' VAL . 38.2 mmt -59.34 -38.21 79.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD1' ' ND2' ' A' ' 90' ' ' ASN . 1.0 OUTLIER -60.04 -47.13 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' C ' HD21 ' A' ' 87' ' ' LEU . 1.2 tt -56.48 -30.92 63.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.3 m -83.84 -16.41 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.34 -59.24 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.466 ' ND2' ' CD1' ' A' ' 86' ' ' LEU . 1.1 p30 -51.97 -31.07 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.62 -30.49 70.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 94.9 m -62.48 -46.36 88.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 49' ' ' LEU . 2.5 t80 -79.82 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.47 152.65 33.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.97 160.11 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.558 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 14.4 mp0 -69.72 161.51 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.36 32.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.7 t -92.23 -174.97 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.67 -62.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.77 -40.62 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 19.2 t80 -41.44 -66.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.51 -41.79 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -59.16 -53.33 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.0 p -47.44 -34.01 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.0 mp -78.46 -41.99 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.9 t -60.83 -61.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 107' ' ' VAL . 54.4 mt -36.42 -45.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -56.49 -56.56 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.7 m -50.8 -25.65 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 t -83.39 -40.75 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -57.49 -41.45 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -46.65 77.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -53.41 -42.56 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 169.96 17.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -64.04 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD2' ' HE1' ' A' ' 18' ' ' MET . 6.9 tt -81.12 -59.15 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.3 m -42.6 -52.47 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -57.73 -45.25 86.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -38.15 -54.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.47 ' HE1' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.73 -57.05 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' ILE . 71.9 m-80 -58.18 -60.73 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.81 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' ASN . 45.9 mt -82.51 -48.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 17.0 mm -65.6 -53.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -45.6 -22.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -94.16 -33.57 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.47 -51.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.467 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 94.9 mt -62.96 -35.46 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.529 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -71.11 -42.78 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CG ' HG21 ' A' ' 111' ' ' VAL . 20.7 t80 -36.48 148.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 p -43.06 -24.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.2 -57.96 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.01 -3.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CD2' HD12 ' A' ' 108' ' ' LEU . 97.7 m-85 -113.6 8.63 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 mm -74.73 -56.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 167.38 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD21 ' CZ ' ' A' ' 52' ' ' TYR . 15.7 mt -114.8 159.92 35.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.79 120.95 7.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -39.99 155.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -68.65 -57.34 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -43.95 -44.3 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.16 -52.41 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 tp -131.98 79.34 67.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.05 -41.4 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 8.1 t80 -52.98 -22.95 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -94.6 -29.09 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.3 -61.41 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -43.19 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 49.8 mm -70.34 130.93 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.6 mmm180 -71.78 -63.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -130.22 88.81 46.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.93 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -130.46 148.98 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' HA ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -124.07 -179.39 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' LYS . 8.9 m-85 -65.43 -67.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.62 -26.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.68 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 57.9 mt -42.19 -42.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -69.02 -33.95 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 18.4 tp10 -60.01 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 13.8 mmm-85 -82.52 -47.71 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.66 -56.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -62.48 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' HIS . 86.8 m-20 -85.33 21.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 35.3 m-70 35.66 37.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -46.7 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -65.41 120.94 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -42.85 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.1 p -154.22 170.81 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 tp -50.4 -47.79 56.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.88 -41.38 2.55 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.6 -53.44 56.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 16.2 tp -43.68 -50.65 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.1 tt0 -48.46 -63.86 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.3 mtmm -37.25 -38.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.95 -58.35 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 112' ' ' PHE . 92.1 t -41.94 -55.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.46 ' HE2' ' CD2' ' A' ' 112' ' ' PHE . 34.7 mmt -59.94 -32.02 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.2 -52.84 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -53.43 -28.66 31.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 m -87.34 -19.0 28.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -84.39 -57.63 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -19.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.54 -34.96 60.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -82.22 -29.78 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -62.25 -37.35 85.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -87.77 -59.28 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -60.56 165.05 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.11 169.09 12.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.1 mt-10 -73.54 162.65 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.74 30.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -91.18 177.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -58.14 -54.03 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.9 mt -71.31 -41.83 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.422 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 13.1 t80 -44.48 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -40.6 -45.03 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -56.28 -55.8 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.7 p -45.28 -36.06 3.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.4 -38.33 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.21 -62.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.549 HD12 ' CD2' ' A' ' 40' ' ' PHE . 29.2 mt -39.08 -41.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 t -56.52 -27.82 58.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 28' ' ' TYR . 3.8 t -78.58 -41.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.556 ' CD1' HG11 ' A' ' 84' ' ' VAL . 71.3 t80 -55.83 -53.91 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -49.01 -56.22 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -60.58 -38.48 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -38.51 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.61 0.719 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.17 19.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.05 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -75.17 -35.66 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 7.4 tt -84.2 -57.37 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 94.3 m -51.59 -53.43 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 19.8 tptm -45.65 -52.59 10.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -41.64 -49.37 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.404 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 43.8 mtt -52.72 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -44.67 -47.85 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.08 -35.32 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CD1' HD13 ' A' ' 77' ' ' LEU . 34.2 mt -81.1 -65.71 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 21.5 mm -46.68 -53.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' ILE . 8.1 t70 -35.4 -59.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 28' ' ' TYR . 92.4 m -55.64 -67.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.66 -62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 51.1 mt -54.95 -33.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -106.02 30.55 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -104.76 152.42 22.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 47.5 pttt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.3 p -61.02 -22.11 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.25 -41.96 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 40' ' ' PHE . 2.8 m -82.16 -8.01 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 39' ' ' VAL . 80.6 m-85 -114.05 18.36 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.6 mm -75.14 -64.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -107.78 154.62 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -112.96 156.31 42.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 119.91 6.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p -59.13 146.8 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -50.17 -49.98 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -44.51 -43.67 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -76.55 -57.38 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.8 tp -133.02 86.99 41.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -38.07 8.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.6 pt-20 -50.79 -43.04 58.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.423 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 88.4 t80 -44.35 -32.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -86.58 -28.8 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 34.9 mm-40 -59.52 -48.02 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -47.05 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.28 134.7 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -83.22 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 90' ' ' ASN . 44.3 mttt -123.43 82.75 52.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 80.23 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 p -88.83 154.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.52 169.26 14.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CE2' HD22 ' A' ' 87' ' ' LEU . 13.1 m-85 -69.29 -14.01 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -80.79 -24.27 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 1.4 mmpt? -88.2 -39.27 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 80' ' ' LEU . 26.9 mt -60.51 -38.16 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -71.97 -53.24 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -45.16 -56.13 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 10.7 mmm180 -43.71 -51.48 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.38 -36.76 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -76.15 -37.33 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.49 22.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 39.98 42.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.05 -58.61 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -56.0 147.75 19.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -102.19 -35.9 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.5 p -160.43 173.58 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 21' ' ' ILE . 2.6 mm? -51.82 -34.59 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -21.3 9.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.87 -33.49 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' A' ' 65' ' ' ILE . 12.0 tp -74.28 -44.78 51.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.09 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.05 -31.05 64.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -38.35 23.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.4 t -68.05 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.426 ' HE3' ' N ' ' A' ' 85' ' ' MET . 32.6 mmt -51.18 -26.6 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.32 -48.59 27.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.465 HD22 ' CE2' ' A' ' 62' ' ' PHE . 3.7 tt -53.32 -26.39 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.5 m -86.74 -36.67 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 89' ' ' HIS . 3.0 t60 -69.5 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 58' ' ' LYS . 70.4 m-20 -51.57 -32.95 30.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.81 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -71.01 -20.91 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.8 m -74.09 -33.52 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -94.98 -58.3 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -52.72 172.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.532 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 8.9 mp -94.16 174.23 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 99' ' ' SER . 4.1 mp0 -86.32 163.42 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.26 29.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.8 t -92.32 174.56 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -61.25 -54.36 45.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.15 -46.58 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 24.7 t80 -41.8 -55.68 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -51.89 -38.73 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.22 -59.92 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mp -62.37 -50.16 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 108' ' ' LEU . 96.1 t -59.11 -51.83 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 107' ' ' VAL . 23.8 mt -35.83 -57.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -45.78 -59.45 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.2 t -49.5 -27.6 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 28' ' ' TYR . 14.7 t -80.1 -34.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -64.22 -50.57 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.54 -58.88 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -48.11 -42.07 28.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . -49.69 -59.79 3.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' ALA . 14.6 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.9 26.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -24.94 29.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -71.03 -47.03 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 5.2 tt -72.97 -56.49 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.6 m -50.11 -44.22 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.44 -43.15 95.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -52.95 -47.12 68.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.435 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 8.9 mtm -63.43 -45.79 89.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 74.3 m-20 -59.74 -58.66 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.5 -43.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 112' ' ' PHE . 19.2 mt -63.27 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 12.1 mm -57.98 -57.63 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.6 t0 -34.17 -47.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.1 m -69.9 -44.42 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ILE . 76.6 t -59.01 -52.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.477 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 76.2 mt -63.73 -38.34 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -95.32 34.98 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CD1' HG21 ' A' ' 111' ' ' VAL . 6.9 t80 -106.96 154.96 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 64.8 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.844 0.354 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p -39.24 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' LEU . 64.1 mt-10 -50.57 -51.44 48.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 9.2 m -73.53 2.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 42.3 m-85 -125.21 17.93 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.8 mm -75.24 -72.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -114.02 151.62 32.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -92.93 157.72 38.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.47 69.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t -68.79 119.37 13.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 4.3 tmm_? -37.55 -34.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -68.21 -46.13 71.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' SER . 5.6 mm-40 -69.1 -51.88 34.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -126.03 76.03 71.77 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.559 0.695 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -47.92 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -41.44 -46.11 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.35 -43.1 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -71.91 -30.22 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.87 -58.91 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.7 mm -63.61 139.44 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -92.71 -61.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -118.14 84.9 23.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 128.15 15.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.0 p -153.52 154.08 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 87' ' ' LEU . 4.2 p30 -132.35 -175.49 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.59 -34.43 77.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -45.67 -47.0 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.404 ' CG2' HD11 ' A' ' 80' ' ' LEU . 96.8 mt -51.35 -41.94 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.19 -38.78 42.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -47.53 -37.98 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -75.02 -29.67 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.44 -73.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -52.74 -30.62 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 30.7 m-20 -72.26 -22.37 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 18.1 m-70 72.47 54.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -109.98 -39.59 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CE2' HD13 ' A' ' 80' ' ' LEU . 2.7 m-85 -47.82 145.86 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.39 -36.0 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 m -173.11 163.93 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -46.0 -44.22 14.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.66 -33.75 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.1 m-20 -72.17 -57.84 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' ASP . 37.6 tp -35.3 -43.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' LYS . 43.5 tt0 -61.78 -56.95 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . 13.4 mmtp -34.32 -48.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.27 -55.3 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.8 t -40.15 -57.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.9 mmt -56.12 -43.84 78.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.76 -49.47 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -49.91 -35.51 24.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.1 m -74.17 -40.13 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' ASN . 11.7 t60 -57.73 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' HIS . 78.5 m-20 -36.49 -45.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.87 -59.18 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -47.68 -20.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.9 m -89.55 -50.33 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.8 -59.41 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.29 135.8 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.88 173.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.8 mp0 -79.52 167.03 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.11 27.74 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.2 t -92.04 174.83 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -59.41 -46.67 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.0 mt -77.17 -29.16 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 23.7 t80 -59.05 -69.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.54 -48.5 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -47.47 -52.26 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.4 p -53.01 -38.63 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.496 HD12 ' CE2' ' A' ' 102' ' ' TYR . 3.0 mp -68.41 -41.2 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' LEU . 84.4 t -63.22 -54.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 107' ' ' VAL . 61.1 mt -36.11 -59.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -43.24 -57.66 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t -47.32 -29.92 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 28' ' ' TYR . 14.6 t -81.41 -43.21 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 21' ' ' ILE . 77.1 t80 -63.63 -55.29 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.24 -58.66 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 m -57.12 -45.27 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.02 -51.83 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.69 23.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.43 36.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -80.93 -54.07 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.3 -45.01 93.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 18' ' ' MET . 8.5 m -60.27 -65.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 31.3 tttp -37.44 -42.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -60.36 -47.19 87.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' THR . 6.4 mtt -58.7 -63.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' OD1' ' HA ' ' A' ' 16' ' ' LYS . 1.9 p30 -55.7 -35.23 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.76 -60.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.463 ' CG2' HD13 ' A' ' 26' ' ' ILE . 8.0 mm -55.81 -58.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.2 t0 -34.23 -50.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.7 m -63.02 -60.3 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.405 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 74.1 t -45.48 -55.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 22' ' ' ILE . 57.6 mt -60.92 -40.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -96.94 36.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 2.8 t80 -109.98 140.34 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 pttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.418 ' OG ' ' CE2' ' A' ' 62' ' ' PHE . 1.7 m -53.22 -15.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -39.46 66.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.1 m -85.82 1.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 80.3 m-85 -119.83 9.07 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -66.04 -74.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -100.12 164.47 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.4 mt -121.47 157.97 54.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.45 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.376 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -48.87 174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -80.42 -40.98 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -63.11 -50.57 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.18 -59.13 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 51' ' ' GLU . 25.6 tp -131.01 84.27 58.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -41.25 4.45 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 49' ' ' LEU . 4.6 pt-20 -49.61 -39.27 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -49.28 -37.87 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.86 -19.41 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -70.3 -61.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -44.96 80.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 57' ' ' ARG . 49.6 mm -69.63 139.36 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 56' ' ' ILE . 12.5 mmm180 -83.55 -61.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -128.4 82.96 67.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 81.66 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.05 154.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.09 166.13 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE2' ' OG ' ' A' ' 37' ' ' SER . 9.7 m-85 -65.89 -25.85 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.64 -53.66 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.37 -42.02 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.1 mt -54.67 -40.23 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HD3' ' CD1' ' A' ' 26' ' ' ILE . 23.4 mtmm -79.77 -39.42 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.74 -20.95 9.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -84.38 -37.09 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.06 -35.38 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.77 -22.78 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -94.09 18.63 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 42.54 40.6 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -85.36 -63.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -39.18 116.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 -68.76 -31.43 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -160.15 163.23 33.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.5 -48.64 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.63 -39.13 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.09 -55.78 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.2 tp -42.29 -39.43 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' LYS . 42.6 tt0 -60.99 -64.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' GLU . 88.1 mttt -36.78 -40.54 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' LEU . 41.2 t0 -73.62 -62.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.434 HG22 ' CE2' ' A' ' 112' ' ' PHE . 96.7 t -37.8 -57.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.2 mmt -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 83' ' ' ASP . 18.9 tp -67.52 -58.02 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 87' ' ' LEU . 1.8 tt -43.26 -29.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.1 m -85.8 -41.37 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -60.01 -62.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -39.06 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.5 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.95 -40.6 96.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.0 m -51.69 -30.99 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -97.96 -55.62 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -63.24 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -72.65 178.56 4.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 1.4 mp0 -92.9 158.52 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.29 25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 p -88.75 170.96 10.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.345 . . . . 0.0 110.85 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -50.3 -50.75 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.17 -48.11 44.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CE2' HD13 ' A' ' 106' ' ' ILE . 49.8 t80 -39.01 -66.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -37.11 -36.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -60.44 -61.39 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.8 p -40.63 -30.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.518 HD13 ' CE2' ' A' ' 102' ' ' TYR . 4.6 mp -83.18 -44.24 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.89 -54.98 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.6 mt -37.78 -42.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.4 -58.35 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.2 t -48.99 -24.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.0 t -82.83 -44.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CE2' HG22 ' A' ' 84' ' ' VAL . 10.5 t80 -60.1 -43.31 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -62.98 -60.68 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -54.62 -28.86 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.51 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.78 23.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -13.35 34.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -84.78 -40.86 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tt -77.92 -50.93 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.0 m -50.48 -51.36 47.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.14 -37.43 82.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -57.71 -51.23 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mtm -55.29 -49.45 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -58.73 -44.31 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -46.18 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.93 -65.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' VAL . 9.9 mm -51.53 -62.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 15.5 t70 -39.75 -50.18 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -60.19 -35.97 76.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ILE . 73.1 t -74.24 -70.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.529 HG12 ' CE2' ' A' ' 62' ' ' PHE . 82.2 mt -43.36 -43.73 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 77.4 m-20 -61.59 -41.32 97.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 4.6 t80 -35.74 148.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 9.2 ptpp? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 80.7 p -40.49 -28.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' LEU . 13.1 mt-10 -41.97 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -55.35 -13.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 108' ' ' LEU . 89.6 m-85 -107.02 21.02 18.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.6 mm -93.89 -67.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HG3' ' CD ' ' A' ' 63' ' ' LYS . 12.8 mt-30 -109.91 138.33 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 52' ' ' TYR . 19.3 mt -85.0 158.86 58.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 138.29 37.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.4 t -51.02 134.77 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.12 -47.76 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.38 -42.76 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -63.58 -52.82 59.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 28.7 tp -134.39 82.24 46.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.2 8.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 10.5 pt-20 -52.6 -44.25 65.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' HD21 ' A' ' 43' ' ' LEU . 35.4 t80 -43.82 -40.76 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.42 -22.53 41.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 35.3 mt-10 -67.99 -62.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -48.24 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.38 134.01 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -77.36 -62.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -127.79 87.17 56.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.546 0.688 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.6 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 5.6 p -103.51 159.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.42 ' N ' ' CG2' ' A' ' 60' ' ' VAL . 9.0 m-20 -142.38 156.04 45.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.529 ' CE2' HG12 ' A' ' 26' ' ' ILE . 3.5 m-85 -43.37 -51.61 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.409 ' CD ' ' HG3' ' A' ' 42' ' ' GLN . 11.9 mtpp -45.37 -44.06 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.89 -50.99 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.27 -45.95 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' GLU . 9.0 mtpm? -72.3 -50.66 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' LYS . 33.5 tt0 -36.92 -34.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -72.73 -56.04 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -42.96 -41.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -77.46 -29.87 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -90.85 8.66 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 49.88 33.87 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -75.57 -44.68 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -52.6 147.67 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -94.92 -34.81 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 t -168.35 175.88 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -52.66 -58.19 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.1 -42.83 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.2 t0 -55.39 -59.75 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ASP . 59.3 tp -34.68 -54.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 30.3 tt0 -48.97 -54.15 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 48.0 mttt -35.87 -39.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.99 -58.72 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.5 HG11 ' CG ' ' A' ' 112' ' ' PHE . 91.3 t -39.95 -54.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.551 ' HE2' ' CD2' ' A' ' 112' ' ' PHE . 36.5 mmt -56.37 -38.49 71.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -60.24 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' C ' HD22 ' A' ' 87' ' ' LEU . 7.3 tt -47.08 -22.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.5 m -93.3 -30.72 15.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -68.68 -55.57 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -26.0 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.466 ' NE2' HD12 ' A' ' 106' ' ' ILE . 2.3 mm100 -77.46 -8.25 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 m -82.71 -59.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.499 ' CZ ' HD22 ' A' ' 49' ' ' LEU . 2.2 t80 -71.01 -49.41 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.455 ' ND2' HG23 ' A' ' 101' ' ' ILE . 49.5 m-80 -79.58 164.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.36 170.98 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' SER . 19.1 mt-10 -60.96 168.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.36 26.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 47.1 t -94.28 143.01 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.7 tp-100 -35.22 -57.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.455 HG23 ' ND2' ' A' ' 95' ' ' ASN . 54.7 mt -65.21 -45.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 21.9 t80 -47.14 -57.84 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.77 -36.79 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -58.75 -34.14 71.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p -68.09 -52.67 32.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.466 HD12 ' NE2' ' A' ' 92' ' ' GLN . 4.6 mm -38.22 -48.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.479 HG12 ' CE1' ' A' ' 28' ' ' TYR . 80.9 t -61.23 -58.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 40' ' ' PHE . 79.3 mt -36.39 -54.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -56.75 -56.79 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -49.11 -35.78 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.433 HG22 ' CD2' ' A' ' 28' ' ' TYR . 87.8 t -77.71 -24.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.551 ' CD2' ' HE2' ' A' ' 85' ' ' MET . 62.9 t80 -76.29 -50.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -56.93 -57.02 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t -59.32 -37.54 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.47 -29.22 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.425 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 65.9 mtm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.74 26.53 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.15 32.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -84.56 -39.09 19.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' ' HE1' ' A' ' 18' ' ' MET . 6.3 tt -85.58 -52.66 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 m -49.63 -51.52 37.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -57.24 -49.09 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' MET . 24.2 tt0 -40.54 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.464 ' HE1' ' CD2' ' A' ' 14' ' ' LEU . 16.3 mtt -35.12 -71.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -43.7 -56.13 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.79 -47.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 77' ' ' LEU . 34.0 mt -60.1 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.55 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 28.2 mm -58.82 -56.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' ILE . 35.9 t70 -34.39 -62.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.3 m -51.79 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ILE . 69.7 t -70.82 -73.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.562 HG12 ' CD2' ' A' ' 62' ' ' PHE . 76.4 mt -42.11 -34.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.0 m-80 -75.62 -43.83 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 13.7 t80 -37.13 151.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' PHE . 86.5 p -40.0 -28.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 19.5 mt-10 -40.29 -69.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.502 HG23 ' CD2' ' A' ' 40' ' ' PHE . 3.5 m -58.86 -13.4 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CD2' HG23 ' A' ' 39' ' ' VAL . 61.2 m-85 -108.41 16.97 22.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 mm -80.41 -74.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 19.7 tp60 -130.29 114.59 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 13.1 mt -64.24 160.3 50.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.9 Cg_endo -69.79 145.72 57.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -56.01 167.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -79.74 -43.41 22.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -26.14 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.62 -52.41 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 51' ' ' GLU . 18.7 tp -121.57 69.86 24.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 7.7 pt-20 -38.11 -44.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE1' HG13 ' A' ' 56' ' ' ILE . 42.5 t80 -52.64 -44.89 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' PRO . 64.2 m-85 -73.23 -9.05 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 5.3 mm-40 -82.46 -47.34 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -82.29 -34.14 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 52' ' ' TYR . 41.9 mm -74.76 137.66 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -84.29 -60.32 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -125.52 85.54 58.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 p -122.6 162.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' OD2' ' CG ' ' A' ' 43' ' ' LEU . 74.2 m-20 -147.86 177.18 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 26' ' ' ILE . 6.7 m-85 -60.1 -56.58 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -49.84 -25.73 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.75 -53.42 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 83.0 mt -51.51 -43.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -61.68 -56.08 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 10.6 tp10 -54.07 -24.15 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 9.7 tpt180 -78.9 -31.97 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.3 mt -77.23 -57.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -57.02 -14.93 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 2.7 m-80 -95.07 11.71 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 49.85 30.8 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -79.14 -17.63 54.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 68' ' ' ARG . 10.2 m-85 -89.64 155.4 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -113.81 -36.9 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -145.49 145.29 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 21' ' ' ILE . 18.7 tp -43.85 -52.51 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.94 -41.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' LEU . 14.6 t0 -54.7 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 53.8 tp -36.21 -49.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.7 tt0 -45.17 -60.08 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' GLU . 38.6 mmtt -35.48 -49.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -66.35 -54.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.2 t -45.07 -47.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.49 ' HE3' ' CD2' ' A' ' 112' ' ' PHE . 35.4 mmt -63.36 -36.91 85.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 tp -68.11 -49.54 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.422 ' C ' HD22 ' A' ' 87' ' ' LEU . 3.8 tt -45.77 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.22 -49.44 10.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -52.41 -51.18 60.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -43.82 -44.2 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.17 -59.87 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -45.88 -34.52 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -63.59 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -80.53 -57.06 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' A' ' 101' ' ' ILE . 48.4 m-80 -68.18 151.8 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.7 177.64 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 21.8 mt-10 -75.37 159.58 31.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.25 27.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -87.1 168.76 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -48.52 -59.34 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.46 HG22 ' ND2' ' A' ' 95' ' ' ASN . 31.3 mt -67.34 -39.21 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -41.94 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -40.51 -49.87 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -46.89 -45.15 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 p -57.74 -36.61 72.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.19 -29.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' LEU . 58.0 t -73.05 -66.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' VAL . 35.2 mt -34.39 -49.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -56.25 -50.43 71.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' VAL . 35.0 m -55.99 -26.54 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.3 t -84.97 -41.04 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.49 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 65.4 t80 -51.6 -51.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -54.34 -53.51 52.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -53.76 -44.13 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.86 -44.94 82.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.909 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.59 27.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.228 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -83.38 -33.27 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.0 tm? -83.41 -59.5 2.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -43.06 -51.79 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.3 mmmt -61.08 -52.82 63.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' LYS . 50.7 tt0 -35.29 -53.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.468 ' HE2' ' CD1' ' A' ' 14' ' ' LEU . 17.9 mtm -61.55 -46.16 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.86 -55.17 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.45 -40.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.437 HG21 ' CE1' ' A' ' 112' ' ' PHE . 17.8 mt -71.61 -72.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 23' ' ' ASP . 13.1 mm -43.06 -54.25 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.0 t70 -35.31 -62.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -57.31 -54.12 50.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.54 -64.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.95 -42.35 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -97.2 40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -97.05 136.91 36.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 p -56.4 -13.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -49.1 -55.13 13.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -75.02 5.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -126.34 19.47 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 7.2 mm -87.32 -74.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -97.72 148.87 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -102.13 156.34 35.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.53 42.84 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 t -61.72 140.91 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' PRO . 62.1 mtm180 -56.05 -46.67 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -51.27 -54.27 27.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.28 -59.71 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' A' ' 51' ' ' GLU . 26.5 tp -117.81 70.88 7.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.75 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' CG ' HD13 ' A' ' 49' ' ' LEU . 2.3 pt-20 -39.95 -44.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.45 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 10.7 t80 -45.8 -42.32 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.975 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -73.29 -24.68 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CD ' ' HA ' ' A' ' 51' ' ' GLU . 92.3 mt-10 -64.88 -61.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 57' ' ' ARG . 26.9 mm -78.49 143.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -111.27 -31.97 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' CB ' ' CD2' ' A' ' 86' ' ' LEU . 18.3 mmmt -121.01 67.94 16.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.383 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.83 158.78 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.71 163.93 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.17 -27.64 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CD ' ' O ' ' A' ' 41' ' ' ILE . 13.9 mtpt -66.86 -46.13 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -62.12 -53.79 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.3 mt -45.18 -57.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -53.27 -45.37 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.01 -46.66 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 17.3 mmt180 -53.16 -22.69 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.4 mt -81.12 -65.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.26 -22.53 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 33.2 m-20 -92.54 16.75 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 11.3 m-70 35.97 31.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -72.54 -56.02 6.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 10.8 m-85 -45.62 159.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 1.3 mpp_? -105.07 -29.96 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -165.03 163.19 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 tp -45.28 -42.88 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.12 -57.7 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.545 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.6 m-20 -41.47 -62.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.2 tp -35.73 -57.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.3 tt0 -45.04 -66.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' GLU . 20.3 mtpp -35.94 -48.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.89 -53.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.87 -63.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mmt -48.28 -36.26 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' CB ' ' A' ' 58' ' ' LYS . 16.1 tp -67.21 -52.19 44.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 tt -50.06 -27.41 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.88 -24.76 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -74.04 -51.51 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -16.94 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.89 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 m -63.23 -36.53 83.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -94.17 -55.21 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -66.48 153.44 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.23 166.59 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 35.5 mt-10 -72.57 159.52 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.08 27.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.8 t -88.16 169.92 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -51.25 -54.31 27.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.35 -33.43 50.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.536 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 49.6 t80 -45.59 -68.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.88 -42.79 69.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -47.45 -37.74 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.4 p -72.66 -45.45 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.36 -30.85 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' LEU . 21.7 t -67.14 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' VAL . 33.0 mt -34.44 -39.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.44 -58.01 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.6 -26.94 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.1 t -79.78 -38.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.437 ' CE1' HG21 ' A' ' 21' ' ' ILE . 48.5 t80 -64.44 -58.35 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -46.0 -47.49 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -71.56 -38.88 70.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.62 -30.72 5.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.39 38.47 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -19.59 36.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.3 -52.16 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.63 -49.08 57.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 92.7 m -54.62 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -37.64 -62.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' LYS . 5.7 tt0 -34.25 -61.27 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt -41.7 -71.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.504 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -47.63 -41.65 22.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.46 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CG2' ' CD2' ' A' ' 112' ' ' PHE . 43.6 mt -77.72 -62.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 26' ' ' ILE . 13.1 mm -50.9 -57.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.82 -28.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -84.3 -29.97 25.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ILE . 89.6 t -79.9 -50.64 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' ' 22' ' ' ILE . 98.9 mt -61.97 -40.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.515 HD21 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -66.93 -37.19 83.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -42.91 151.89 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.89 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' GLU . 6.0 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.5 p -40.61 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 43.6 mt-10 -43.83 -63.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.669 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -66.2 -6.07 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.669 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 60.0 m-85 -114.17 21.17 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 mm -87.56 -69.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 14.0 tm0? -102.1 150.38 23.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 25.6 mt -104.67 158.23 32.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.8 Cg_endo -69.75 111.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' PRO . 59.1 m -36.49 126.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -43.75 -45.8 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -52.44 -52.69 52.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.98 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 18.9 tp -119.97 83.37 30.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.18 11.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.496 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 11.3 pt-20 -54.78 -35.62 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -52.78 -35.41 56.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -87.43 -14.8 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.41 -55.24 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -74.77 -41.36 60.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.416 HG21 ' CD ' ' A' ' 59' ' ' PRO . 49.3 mm -72.88 125.1 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.29 -58.93 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -134.09 84.24 43.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.416 ' CD ' HG21 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.77 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 7.4 p -93.9 158.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' CG2' ' A' ' 60' ' ' VAL . 4.4 p-10 -136.66 171.34 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.25 -37.61 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -64.27 -21.74 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.46 -52.11 5.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.0 -52.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -62.61 -28.82 70.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.14 -21.12 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -86.6 -45.04 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.9 mt -51.05 -46.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -71.92 -22.2 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -94.0 15.64 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER 39.57 38.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -56.2 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 9.4 m-85 -46.11 171.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.57 -15.91 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -173.76 168.2 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.5 -44.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.06 -55.97 4.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.492 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.2 m-20 -48.46 -41.91 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 82' ' ' LYS . 8.4 tm-20 -67.76 -60.93 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.0 mtpt -39.12 -45.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.09 -63.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.3 t -40.11 -57.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.541 ' HE2' ' CD1' ' A' ' 112' ' ' PHE . 35.6 mmt -53.08 -42.98 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' HIS . 8.6 tp -59.62 -59.04 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.408 ' C ' HD22 ' A' ' 87' ' ' LEU . 2.8 tt -43.23 -25.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.56 -29.28 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' LEU . 6.8 t60 -75.4 -51.95 11.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -15.46 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.7 -52.83 11.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.468 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 47.9 mt-30 -61.72 -33.21 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 m -57.71 -44.92 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.438 ' CE2' HD22 ' A' ' 49' ' ' LEU . 2.0 t80 -89.72 -59.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -60.29 145.02 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.03 176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . 17.0 mt-10 -98.91 166.26 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.6 31.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 p -100.03 -174.81 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -62.2 -61.83 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 104' ' ' ASP . 46.0 mt -59.69 -58.33 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 7.1 t80 -34.31 -52.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -58.16 -44.03 87.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 101' ' ' ILE . 10.3 t0 -52.54 -47.59 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -51.22 -41.95 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.444 HD12 ' CE1' ' A' ' 102' ' ' TYR . 2.7 mp -65.42 -48.63 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 108' ' ' LEU . 91.3 t -50.99 -62.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 107' ' ' VAL . 34.0 mt -36.1 -49.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.27 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 t -45.8 -27.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.22 -44.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.541 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 7.2 t80 -59.43 -58.45 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -46.36 -59.31 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -58.08 -16.66 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -82.32 -62.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.402 ' CB ' HD13 ' A' ' 21' ' ' ILE . 12.2 ptm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.7 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.4 34.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.64 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -49.98 -32.77 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -79.65 -56.16 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -48.96 -55.64 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -60.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -43.24 -46.54 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.6 mtm -61.3 -46.03 91.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -59.82 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.43 -57.88 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.55 -70.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' VAL . 8.3 mm -46.64 -65.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 22' ' ' ILE . 4.5 t70 -34.6 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' ILE . 52.9 m -78.37 -44.27 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ILE . 99.6 t -61.73 -58.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 22' ' ' ILE . 86.2 mt -55.56 -49.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' TYR . 93.5 m-20 -59.95 -45.68 91.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CG ' HG22 ' A' ' 111' ' ' VAL . 31.9 t80 -37.12 141.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.913 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLU . 5.5 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.352 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.7 p -42.35 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . 31.4 mt-10 -42.99 -61.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.65 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.6 m -65.49 -12.26 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -105.4 20.38 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.414 ' CG2' ' HD3' ' A' ' 63' ' ' LYS . 17.2 mm -91.18 -74.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.5 128.79 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.37 155.98 41.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' PRO . 6.7 t -34.76 145.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' SER . 18.4 mmm-85 -37.08 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -66.16 -47.86 72.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' SER . 6.8 mm-40 -56.72 -50.09 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tp -164.58 105.01 0.84 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.628 0.727 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 -31.46 20.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 1.1 tt0 -36.81 -63.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' GLU . 27.5 t80 -36.19 -55.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.38 -35.35 80.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.1 mt-10 -55.33 -54.45 43.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -49.39 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.7 140.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -90.84 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.14 80.32 11.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.13 9.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.3 159.61 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -141.82 169.24 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CD1' HG12 ' A' ' 26' ' ' ILE . 17.6 m-85 -56.79 -34.45 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HD3' ' CG2' ' A' ' 41' ' ' ILE . 19.1 mmmt -60.15 -45.51 92.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -50.88 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.2 mt -46.1 -58.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.3 mtpt -58.61 -48.89 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 17.8 tt0 -42.61 -34.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -72.5 -48.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.66 -31.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 9.0 ptp180 -88.03 -39.16 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -80.04 11.83 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 49.15 47.0 22.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -92.09 -46.25 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.41 123.81 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.35 -37.79 56.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 5.3 t -164.04 -175.05 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.79 -45.67 85.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.13 -59.78 1.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -54.79 -56.51 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.4 tp -38.52 -48.17 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.3 -52.19 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -42.82 -41.78 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.08 -60.52 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 112' ' ' PHE . 91.4 t -41.01 -45.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.1 mmt -70.28 -45.91 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -53.7 -36.86 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.418 ' C ' HD21 ' A' ' 87' ' ' LEU . 5.3 tt -65.58 -42.85 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.67 -51.31 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -50.64 -54.17 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -53.05 -37.2 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.73 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 63.9 mt-30 -61.52 -39.09 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -51.61 -41.56 61.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -94.06 -59.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.423 ' CG ' HG22 ' A' ' 101' ' ' ILE . 59.8 m-80 -59.06 120.66 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.07 160.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 8.7 mp0 -75.95 160.14 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.17 26.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -87.98 -176.26 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.24 -55.72 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.423 HG22 ' CG ' ' A' ' 95' ' ' ASN . 86.4 mt -69.38 -39.9 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 58.5 t80 -37.94 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 106' ' ' ILE . 48.8 mt-10 -42.55 -58.8 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.448 ' OD1' ' C ' ' A' ' 104' ' ' ASP . 4.1 t0 -39.62 -43.15 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 p -61.77 -42.95 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.479 HD12 ' CE2' ' A' ' 102' ' ' TYR . 3.0 mp -66.47 -43.38 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' LEU . 19.5 t -56.54 -59.84 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 107' ' ' VAL . 46.2 mt -34.24 -54.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -60.63 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.0 t -43.37 -37.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG22 ' CG ' ' A' ' 28' ' ' TYR . 63.2 t -69.12 -40.9 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 112' ' ' PHE . 1.6 t80 -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -61.1 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -62.79 -44.21 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.46 -43.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.853 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.52 24.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -12.87 33.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -87.65 -35.54 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD1' ' HE2' ' A' ' 18' ' ' MET . 1.8 tm? -81.7 -54.07 5.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 m -43.55 -53.64 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 35.2 tttm -57.35 -52.85 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' LYS . 49.3 tt0 -35.08 -57.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.455 ' HE2' ' CD1' ' A' ' 14' ' ' LEU . 8.4 mtm -56.74 -46.38 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.13 -49.24 76.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -41.76 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.438 HG23 ' CE1' ' A' ' 112' ' ' PHE . 28.1 mt -68.79 -67.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 10.8 mm -50.53 -59.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.0 t70 -35.78 -54.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.6 m -58.3 -62.04 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.6 t -48.54 -69.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mt -44.08 -47.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.481 HD21 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -58.79 -40.75 84.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CD2' HG22 ' A' ' 111' ' ' VAL . 44.1 t80 -34.33 135.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 p -56.14 -20.2 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -46.61 -59.97 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.2 m -57.38 -12.75 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 50.8 m-85 -105.86 -15.18 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.427 HG22 ' NE2' ' A' ' 42' ' ' GLN . 21.9 mm -53.12 -62.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.427 ' NE2' HG22 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -129.66 148.21 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.423 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -130.62 164.08 44.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.69 119.82 6.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.1 m -57.89 177.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HG2' ' CD2' ' A' ' 53' ' ' TYR . 42.7 mtt-85 -52.91 -42.51 65.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.08 -56.34 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -58.46 -61.41 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 7.2 tp -125.44 94.28 43.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 53.4 Cg_endo -69.82 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 5.0 pt-20 -42.27 -42.33 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -53.85 -40.77 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.47 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 27.5 m-85 -81.47 -2.2 48.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.86 -52.04 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -80.57 -35.98 33.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.7 mm -79.17 139.38 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -44.61 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 84.5 mttt -133.06 83.41 51.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.64 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.09 165.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -146.56 155.57 42.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -48.83 -38.92 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 13.6 mtpp -54.59 -45.11 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -73.15 -46.58 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -49.96 -40.17 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -79.23 -38.75 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.9 tm-20 -49.65 -68.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HG3' ' CE2' ' A' ' 74' ' ' TYR . 6.1 ptm180 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt -44.98 -46.52 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.96 -21.38 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' HIS . 9.1 m-80 -101.64 21.91 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 71' ' ' ASN . 3.4 m-70 35.21 42.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -82.6 -48.92 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 3.0 m-85 -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -112.73 -32.36 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 t -166.32 168.99 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 80' ' ' LEU . 63.8 tp -57.11 -57.92 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . . . -38.09 -30.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' LEU . 59.8 m-20 -70.09 -46.38 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 77' ' ' LEU . 27.4 tp -50.79 -32.4 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' LYS . 36.3 tt0 -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.6 mtmt -36.03 -63.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.1 p-10 -55.57 -60.92 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.416 HG12 ' CE ' ' A' ' 85' ' ' MET . 74.5 t -38.95 -51.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.416 ' CE ' HG12 ' A' ' 84' ' ' VAL . 34.9 mmt -63.59 -36.16 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 58' ' ' LYS . 14.3 tp -67.99 -59.99 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 88' ' ' CYS . 1.4 tt -37.33 -44.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . 0.445 ' N ' HD22 ' A' ' 87' ' ' LEU . 60.0 m -71.87 -43.9 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' GLN . 6.4 t-80 -58.2 -56.21 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' HIS . 91.1 m-20 -37.2 -41.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.46 -47.36 82.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' HIS . 76.8 mt-30 -57.98 -13.93 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.4 m -96.86 -33.93 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -93.16 -57.12 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . 0.421 ' CG ' HG21 ' A' ' 101' ' ' ILE . 13.3 m-80 -64.06 135.96 56.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 97' ' ' GLU . 0.5 OUTLIER -58.17 150.61 21.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.8 mt-10 -66.96 175.69 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.77 28.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.0 t -100.36 175.57 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -66.09 -49.76 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 104' ' ' ASP . 38.0 mt -67.76 -62.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 3.3 t80 -39.22 -44.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -68.56 -37.13 79.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.542 ' OD1' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -56.85 -40.33 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.7 p -59.07 -37.97 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.93 -24.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' LEU . 94.4 t -83.51 -61.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.6 mt -35.44 -43.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.78 -52.55 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -30.58 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.545 HG22 ' CD2' ' A' ' 28' ' ' TYR . 43.2 t -80.54 -32.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CE1' HG23 ' A' ' 21' ' ' ILE . 40.7 t80 -68.47 -58.9 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -48.16 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -68.2 -38.65 82.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.59 -45.28 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 165.9 29.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -46.12 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -56.73 -21.38 27.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.14 -55.11 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.9 m -52.04 -49.88 62.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -50.11 -60.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -40.63 -46.62 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 mtt -61.04 -49.03 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 25.9 m-20 -62.81 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.33 -53.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -56.66 -64.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 26' ' ' ILE . 19.2 mm -52.09 -67.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -36.46 -32.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ILE . 94.1 m -81.4 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.17 -47.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 22' ' ' ILE . 74.4 mt -66.74 -46.13 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 1.3 t80 -103.39 133.48 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.335 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -92.4 -31.4 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 23.9 mt-10 -42.89 -51.63 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG22 ' CD1' ' A' ' 40' ' ' PHE . 3.4 m -54.88 -30.58 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' HG22 ' A' ' 39' ' ' VAL . 80.9 m-85 -91.48 -22.72 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.416 ' CG1' ' HA ' ' A' ' 38' ' ' GLU . 26.7 mm -49.59 -49.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -127.5 109.29 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -102.17 164.43 15.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.77 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 m -62.45 -177.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -61.34 -47.04 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.42 -54.84 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.18 -54.14 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 23.5 tp -132.84 85.88 45.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -33.0 17.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.0 pt-20 -62.81 -28.82 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE1' HG13 ' A' ' 56' ' ' ILE . 87.3 t80 -61.82 -33.05 73.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 9.0 m-85 -83.42 -14.41 52.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.6 -45.79 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -88.1 -42.39 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 52' ' ' TYR . 48.9 mm -69.9 112.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -49.66 -67.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -131.09 93.49 30.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.4 Cg_endo -69.83 110.07 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 7.6 p -118.84 162.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.456 ' N ' ' CG2' ' A' ' 60' ' ' VAL . 4.8 p-10 -129.53 -177.49 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -81.6 -27.21 34.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -70.61 -26.1 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -83.92 -51.64 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.1 mt -43.07 -36.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.17 -35.68 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.24 -33.53 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -78.26 -36.21 47.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.67 -46.99 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -76.0 -24.04 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -93.92 18.04 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 41.36 34.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -77.38 -44.11 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.38 146.66 39.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -102.26 -23.65 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 p -167.2 175.01 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.73 -42.47 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.82 4.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LEU . 8.1 t0 -61.69 -61.46 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 33.3 tp -36.28 -33.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 79' ' ' ASP . 15.9 tt0 -65.51 -57.77 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -40.72 -52.44 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.16 -70.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 80.1 t -38.29 -57.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.5 mmt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' LEU . 12.7 tp -61.63 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 40' ' ' PHE . 5.4 tt -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.51 -41.92 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -55.33 -34.54 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -64.29 -43.21 95.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.66 -57.68 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -50.27 -22.07 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.5 m -81.05 -56.44 4.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.516 ' CD2' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -74.85 -54.4 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -65.05 157.68 27.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -84.18 165.14 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' SER . 17.4 mt-10 -65.77 161.84 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.55 31.66 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 42.0 t -93.6 159.4 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.336 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -41.5 -59.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.61 -27.91 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.551 ' CE2' HD11 ' A' ' 106' ' ' ILE . 21.6 t80 -61.0 -67.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -42.65 -34.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -66.19 -45.0 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -56.19 -41.33 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.551 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -69.45 -33.67 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' LEU . 91.3 t -71.27 -62.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' VAL . 11.2 mt -36.72 -51.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.07 -53.86 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.1 t -52.42 -32.27 38.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 28' ' ' TYR . 12.4 t -75.48 -32.35 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -65.24 -49.3 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -67.1 -45.32 77.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.0 t -58.89 -31.89 69.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.93 -39.07 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -139.82 139.12 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -146.58 161.46 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 72.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -50.27 156.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -94.33 52.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.1 -86.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -89.01 144.14 32.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.746 . . . . 0.0 110.868 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 133.45 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -40.51 144.69 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 167.51 24.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.96 32.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -75.7 -35.37 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 tt -81.96 -59.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.4 m -46.75 -49.75 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -53.82 -50.01 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -48.09 -52.46 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.7 mtt -54.96 -52.99 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -54.01 -57.34 11.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.01 -61.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.438 ' CG2' ' CD1' ' A' ' 112' ' ' PHE . 71.9 mt -47.49 -73.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 25' ' ' VAL . 17.2 mm -48.35 -65.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 37.7 t70 -35.59 -35.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ILE . 71.0 m -82.57 -42.56 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ILE . 50.4 t -63.43 -50.23 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 HD11 ' CG2' ' A' ' 22' ' ' ILE . 89.9 mt -65.9 -32.77 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 97.6 m-20 -83.07 -23.25 33.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CE1' HG13 ' A' ' 107' ' ' VAL . 3.4 t80 -54.4 134.91 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.0 152.45 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.36 -54.87 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.08 -175.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -80.79 49.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.03 -33.6 3.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -71.29 101.02 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.55 166.25 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.09 -43.54 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -49.52 -19.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -52.03 -50.87 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -75.69 3.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -120.57 14.25 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.6 mm -82.83 -69.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -107.67 153.75 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 14.2 mt -113.47 159.05 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.446 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.77 144.25 53.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -62.41 172.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -79.92 -26.73 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -77.05 -54.95 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.62 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' CD1' ' CG ' ' A' ' 51' ' ' GLU . 56.9 tp -124.51 81.73 59.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.84 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 3.2 pt-20 -40.67 -40.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.429 ' CE1' HG13 ' A' ' 56' ' ' ILE . 64.0 t80 -48.46 -44.14 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 46' ' ' ARG . 95.2 m-85 -77.54 -15.71 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 53.0 mm-40 -74.04 -49.11 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -82.04 -48.21 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.429 HG13 ' CE1' ' A' ' 52' ' ' TYR . 6.0 mm -65.55 132.94 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -76.64 -62.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -127.22 82.58 67.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 7.3 p -92.69 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.46 ' N ' ' CG2' ' A' ' 60' ' ' VAL . 1.8 p-10 -123.47 -175.22 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -84.1 -39.3 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 mtmt -57.63 -31.82 66.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -77.39 -46.69 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 38.5 mt -53.8 -40.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -74.4 -40.88 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.23 -28.48 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -72.12 -45.76 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.1 mt -55.52 -39.45 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -80.9 -12.02 59.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -101.26 12.8 36.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 50.58 30.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -74.83 -66.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -50.2 128.74 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -84.3 -43.19 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.4 t -138.61 167.11 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.3 tp -52.88 -47.83 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.59 -52.71 3.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.18 -45.82 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.7 tp -57.0 -41.51 78.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.85 -42.18 98.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -44.84 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.3 m-20 -77.78 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' ASP . 93.0 t -36.82 -54.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.521 ' HE1' ' CD2' ' A' ' 112' ' ' PHE . 39.0 mmt -62.33 -33.91 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -67.04 -53.26 32.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.58 -30.87 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.66 -55.56 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -48.14 -50.07 30.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.61 -40.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 94' ' ' PHE . . . -66.04 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -42.94 -24.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 91' ' ' ALA . 62.5 m -81.79 -39.87 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 91' ' ' ALA . 2.5 t80 -86.33 -57.16 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.595 ' ND2' ' CG2' ' A' ' 101' ' ' ILE . 38.9 m-80 -69.5 132.35 46.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.17 162.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 26.7 mt-10 -70.1 169.3 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.12 32.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -97.44 -177.0 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -50.35 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.595 ' CG2' ' ND2' ' A' ' 95' ' ' ASN . 11.5 mm -74.19 -27.85 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 54.2 t80 -58.29 -72.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 102' ' ' TYR . 44.1 mt-10 -36.22 -51.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -45.31 -57.38 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -44.09 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.554 HD11 ' CE2' ' A' ' 102' ' ' TYR . 5.3 mp -58.47 -40.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.484 HG13 ' CE1' ' A' ' 28' ' ' TYR . 93.7 t -63.46 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 29.5 mt -40.13 -38.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -64.64 -52.05 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -54.16 -34.32 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.4 t -73.44 -38.24 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.521 ' CD2' ' HE1' ' A' ' 85' ' ' MET . 87.5 t80 -57.08 -58.34 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -56.73 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -49.3 -50.61 38.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 21' ' ' ILE . . . -45.19 -54.78 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ALA . 4.9 mtp-105 -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -91.13 -71.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -62.8 98.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -148.22 -158.22 7.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -18.92 36.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -52.43 102.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.2 t -123.75 100.28 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -127.85 -54.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -174.13 154.41 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.04 154.31 9.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -131.47 106.87 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -172.24 141.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.15 161.14 14.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -71.65 152.06 93.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.91 13.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -42.11 151.08 0.36 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.68 20.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -17.6 37.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -86.4 -33.68 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD1' ' HE2' ' A' ' 18' ' ' MET . 2.6 tm? -85.37 -56.17 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.2 m -48.18 -53.68 16.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLN . 39.8 mmtt -52.79 -46.42 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 21.7 tt0 -37.68 -61.0 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.458 ' HE2' ' CD1' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -48.02 -52.25 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -56.83 -58.06 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.22 -45.14 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 112' ' ' PHE . 77.4 mt -66.91 -72.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 23' ' ' ASP . 13.1 mm -44.18 -58.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.1 m-20 -34.65 -55.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -55.36 24.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 89.8 t -47.54 -59.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.44 ' CD1' HG23 ' A' ' 22' ' ' ILE . 97.0 mt -61.31 -41.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -96.9 41.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.71 143.76 32.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -104.17 136.25 44.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -106.98 -36.25 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -111.26 -73.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 m -119.81 -47.72 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.69 -40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -41.4 134.72 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.78 127.43 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.5 -21.99 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -61.32 -9.17 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.43 -44.06 62.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.7 m -83.37 -0.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -113.67 3.41 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.9 mm -74.7 -74.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 -99.42 131.96 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.461 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.6 mt -91.3 157.46 42.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.78 126.97 13.91 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -58.79 159.3 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -66.27 -48.04 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -56.1 -42.0 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -71.01 -56.75 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -133.33 80.88 57.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -33.92 15.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 4.9 pt-20 -50.02 -36.41 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CE1' HG13 ' A' ' 56' ' ' ILE . 76.2 t80 -59.49 -37.33 77.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -74.41 -16.63 60.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.55 -54.09 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.563 HD13 ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -73.85 -47.13 40.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.562 HG13 ' CE1' ' A' ' 52' ' ' TYR . 4.5 mm -67.71 155.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' N ' HG23 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -113.17 -45.36 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -127.19 81.72 69.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.08 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 p -101.12 159.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -125.99 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.5 -18.07 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -82.43 -31.76 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -70.9 -48.54 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.02 -47.39 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 68' ' ' ARG . 50.6 mtmt -68.32 -46.34 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 45.4 tt0 -39.5 -26.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' LYS . 1.3 mpt_? -86.95 -45.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.6 mt -49.84 -51.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -71.31 -19.66 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 84.8 m-20 -99.12 7.27 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 45.44 50.47 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -93.69 -27.08 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -77.43 131.28 37.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.5 -38.23 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.9 m -153.42 164.62 37.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.5 tp -56.55 -42.33 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.86 -25.78 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.97 -53.51 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.1 tp -39.73 -44.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.9 tt0 -54.94 -60.91 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' GLU . 31.9 mttm -35.93 -40.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.46 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 15.0 t -44.33 -57.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.7 mmt -54.22 -37.79 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.0 tp -63.37 -51.82 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.8 tt -51.6 -30.58 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.19 -38.6 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -62.93 -42.82 99.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -51.16 -38.45 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.99 -26.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 m -75.85 -37.58 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.563 ' CD2' HD13 ' A' ' 55' ' ' LEU . 3.3 t80 -91.06 -57.82 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -62.21 143.13 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.4 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 3.9 mm? -64.77 166.29 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 25.3 mt-10 -71.58 162.89 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.26 33.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -95.42 168.18 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.66 -61.89 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.4 mt -64.88 -42.79 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.544 ' CD2' HD13 ' A' ' 106' ' ' ILE . 18.6 t80 -42.73 -66.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -40.1 -45.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -55.92 -57.57 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.6 p -43.26 -42.62 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.544 HD13 ' CD2' ' A' ' 102' ' ' TYR . 5.2 mp -68.32 -44.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.8 t -57.7 -60.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.1 mt -35.61 -49.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.35 -62.59 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.9 t -46.1 -32.55 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.44 -42.33 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE1' HG23 ' A' ' 21' ' ' ILE . 60.7 t80 -52.54 -58.38 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -52.93 -52.77 56.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -53.96 -33.03 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -78.96 -15.82 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -90.76 -49.12 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.34 -25.43 67.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -68.06 106.56 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -86.07 -160.64 34.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 122' ' ' SER . 53.7 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 m -54.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' PRO . 30.3 p -119.55 149.44 41.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -86.84 7.87 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 t -119.54 119.91 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.66 -106.42 0.61 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -58.9 93.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -120.64 129.79 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 167.96 -69.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.1 t -35.75 143.76 0.26 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.884 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 146.83 61.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -71.26 151.78 94.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.26 28.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.53 26.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -53.54 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' CD2' ' HE2' ' A' ' 18' ' ' MET . 8.0 tt -66.79 -50.49 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -52.48 -56.02 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -48.51 -48.48 38.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -44.92 -52.73 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.467 ' HE2' ' CD2' ' A' ' 14' ' ' LEU . 40.1 mtt -49.59 -51.18 39.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -57.96 -52.52 65.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -47.37 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.2 mt -63.4 -67.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' VAL . 9.9 mm -48.08 -62.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 4.5 t70 -37.08 -59.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -34.47 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ILE . 47.7 t -70.21 -65.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.467 ' CD1' ' HD2' ' A' ' 66' ' ' LYS . 97.1 mt -55.58 -43.2 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 2.3 m-20 -63.46 -36.48 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.414 ' CD2' HG11 ' A' ' 111' ' ' VAL . 36.1 t80 -41.62 149.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -136.52 151.08 49.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -94.36 -71.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -74.75 -174.95 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -75.94 48.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.96 -55.08 0.47 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -43.12 161.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -131.58 154.19 49.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 38' ' ' GLU . 2.5 mt -92.05 -58.97 2.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 p -44.56 -22.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 9.4 mm-40 -47.21 -48.6 23.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.477 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 12.6 m -81.74 -5.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 58.2 m-85 -115.29 13.18 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.2 mm -65.59 -75.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -106.12 165.57 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.25 155.77 40.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.4 54.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' GLU . 43.5 m -73.1 122.92 22.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' SER . 20.1 ttp180 -36.31 -55.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.58 -42.57 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' SER . 31.6 mm-40 -67.86 -59.13 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.555 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 39.4 tp -129.44 77.04 78.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CG ' HD11 ' A' ' 49' ' ' LEU . 5.9 pt-20 -41.22 -49.36 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' CE1' HG13 ' A' ' 56' ' ' ILE . 25.1 t80 -36.92 -44.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -70.12 -38.72 75.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' GLU . 7.1 mm-40 -48.38 -51.3 27.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -48.77 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.549 HG13 ' CE1' ' A' ' 52' ' ' TYR . 31.6 mm -69.59 117.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -67.24 -68.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 16.3 pttm -117.02 89.13 28.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 151.22 68.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.4 p -158.06 153.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 4.6 p-10 -131.4 -175.22 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -74.37 -41.65 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -49.38 -50.83 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 34.9 mt -47.86 -48.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.1 mtpp -65.45 -31.18 72.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -59.44 -53.06 62.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.415 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 38.8 mtp85 -47.19 -43.81 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -57.84 -57.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -64.77 -18.12 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' HIS . 35.3 m-20 -99.35 18.97 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' ASN . 82.6 m-70 36.08 40.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -91.05 -38.25 12.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CE2' HD12 ' A' ' 80' ' ' LEU . 6.4 m-85 -57.96 110.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -55.31 -40.25 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -163.88 163.01 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 tp -49.23 -44.69 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.23 -49.44 6.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 m-20 -54.43 -54.28 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 50.6 tp -35.02 -50.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -51.67 -55.93 16.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -42.59 -46.87 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.18 -64.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG12 ' CE ' ' A' ' 85' ' ' MET . 86.1 t -41.77 -56.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.426 ' CE ' HG12 ' A' ' 84' ' ' VAL . 31.7 mmt -55.45 -39.73 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.3 tp -63.45 -42.17 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 HD22 ' N ' ' A' ' 88' ' ' CYS . 3.0 tt -55.63 -41.75 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.459 ' N ' HD22 ' A' ' 87' ' ' LEU . 45.2 m -68.57 -52.15 34.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ASN . 20.9 t60 -45.1 -54.47 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' HIS . 87.6 m-20 -37.88 -45.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.85 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -43.73 -29.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -78.75 -47.83 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 1.7 t80 -70.48 -55.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' A' ' 101' ' ' ILE . 0.4 OUTLIER -81.32 164.39 22.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -88.87 -179.0 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 10.7 mt-10 -73.0 164.2 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.93 31.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.4 t -92.92 167.7 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -49.19 -59.83 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.438 HG23 ' ND2' ' A' ' 95' ' ' ASN . 42.2 mt -70.63 -37.54 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 22.3 t80 -42.36 -69.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -39.4 -51.68 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.09 -54.3 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 p -51.83 -44.0 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.554 HD12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 mp -62.73 -48.44 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.2 t -57.31 -60.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 107' ' ' VAL . 90.9 mt -34.61 -48.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.36 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 t -45.47 -36.85 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.414 HG11 ' CD2' ' A' ' 28' ' ' TYR . 18.9 t -68.57 -51.14 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -42.93 -62.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -42.88 -62.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -44.02 -42.58 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.74 -58.96 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -47.8 -52.19 19.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.24 -72.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -49.37 107.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.58 152.41 21.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.6 Cg_endo -69.81 -4.4 13.98 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 120' ' ' PRO . 62.3 m -35.76 133.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.7 m -72.46 125.87 28.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -133.42 141.64 47.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -123.92 142.1 51.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.37 -174.26 13.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.44 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -54.26 135.81 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -75.53 101.83 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.91 -164.21 52.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -97.25 142.84 25.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.59 5.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -52.06 147.13 13.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.83 20.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.4 20.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.19 -56.89 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -47.81 -57.24 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -49.41 -59.84 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' NE2' HD12 ' A' ' 77' ' ' LEU . 8.4 tt0 -44.63 -50.7 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.6 mtm -54.47 -59.59 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -53.26 -57.92 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.83 -39.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.41 HG22 ' CE2' ' A' ' 112' ' ' PHE . 52.7 mt -71.18 -56.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 26' ' ' ILE . 8.8 mm -63.45 -61.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.7 t70 -34.38 -45.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.8 m -67.74 -57.31 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.3 t -46.38 -59.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.469 HD11 ' CG2' ' A' ' 22' ' ' ILE . 96.4 mt -59.1 -39.58 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 75.1 m-20 -98.75 40.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 3.4 t80 -109.6 140.24 43.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -101.31 144.13 30.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -56.65 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -130.8 -68.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' GLY . 3.5 m -109.46 78.87 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 35.92 40.07 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -95.2 126.18 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.78 143.38 44.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.425 ' CB ' HD21 ' A' ' 108' ' ' LEU . 7.1 mt -104.67 -53.11 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.457 ' HB2' ' CD2' ' A' ' 62' ' ' PHE . 53.3 p -47.47 -20.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -43.24 -63.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -66.36 -8.33 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 49.8 m-85 -117.89 21.13 13.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 63' ' ' LYS . 14.7 mm -68.93 -74.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.462 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 8.7 pt20 -112.83 176.78 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.7 mt -129.37 157.02 77.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -41.74 147.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -60.53 -52.3 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.34 -59.6 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 26.6 tp -115.28 82.01 8.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.656 0.741 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -37.09 9.5 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 8.1 pt-20 -52.53 -45.34 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -48.03 -40.49 22.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.445 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 11.0 m-85 -79.66 -21.72 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.79 -54.38 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -72.81 -47.13 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -68.42 147.09 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -93.81 -46.47 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -132.23 84.51 52.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 54.4 Cg_endo -69.7 83.61 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 p -107.15 165.21 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -145.86 -179.24 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 9.4 m-85 -68.58 -52.07 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.462 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 18.3 mtpp -42.87 -41.26 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' ILE . 4.9 mmmm -72.53 -62.88 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 64' ' ' LYS . 58.1 mt -38.03 -42.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -72.86 -43.42 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.79 -46.44 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' CD ' ' HE3' ' A' ' 73' ' ' LYS . 69.9 mtt180 -59.33 -46.83 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.9 mt -52.37 -50.21 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.22 -25.64 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' HIS . 44.1 m-20 -94.45 20.1 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ASN . 7.6 m-70 36.42 35.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HE3' ' CD ' ' A' ' 68' ' ' ARG . 6.8 ttpp -79.07 -51.55 9.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 5.3 m-85 -49.36 164.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -119.01 -36.83 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.3 m -160.77 156.38 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.432 HD12 ' NE2' ' A' ' 17' ' ' GLN . 11.9 mt -41.48 -43.52 2.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.0 -39.88 3.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.29 -46.59 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 tp -62.52 -40.2 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.12 -61.26 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -54.09 -29.49 44.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -77.36 -38.26 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.436 HG11 ' CD2' ' A' ' 112' ' ' PHE . 98.5 t -68.5 -54.19 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.8 mmt -57.91 -28.87 64.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 21.3 tp -73.54 -37.31 65.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.43 ' C ' HD22 ' A' ' 87' ' ' LEU . 1.7 tt -61.27 -23.85 65.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.28 -51.43 7.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' ASN . 5.9 t60 -53.29 -54.04 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' HIS . 89.6 m-20 -36.37 -37.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.58 -53.74 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.413 ' HA ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 mt-30 -50.63 -18.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.0 m -89.85 -53.55 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' A' ' 55' ' ' LEU . 1.8 t80 -83.44 -59.92 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.49 156.94 9.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 17.5 mt-10 -94.85 157.97 15.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.71 29.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 m -110.06 178.88 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -44.89 -67.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 58.9 mt -49.68 -53.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 16.3 t80 -45.35 -60.48 2.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -48.45 -44.44 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 104' ' ' ASP . 38.9 t0 -57.86 -51.92 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.2 p -48.76 -41.65 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.401 HD11 ' CE2' ' A' ' 102' ' ' TYR . 2.7 mp -68.55 -37.25 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.2 t -59.52 -53.19 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' VAL . 77.8 mt -34.31 -55.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -41.7 -66.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t -41.98 -35.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.453 HG12 ' CG ' ' A' ' 28' ' ' TYR . 27.1 t -72.38 -48.2 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.436 ' CD2' HG11 ' A' ' 84' ' ' VAL . 31.3 t80 -53.77 -46.21 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -61.59 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.2 t -42.59 -37.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -69.44 -57.32 5.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -50.8 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -56.74 -50.82 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.0 t -126.52 108.22 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -103.2 -145.05 14.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.442 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -179.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.7 t -151.59 170.84 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 35.8 m 37.25 47.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -96.3 134.81 38.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -142.74 155.99 44.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.51 -136.32 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 p -49.13 139.88 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.804 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -140.65 128.92 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.42 159.77 26.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.443 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.7 m -114.0 143.44 29.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.25 11.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -96.75 149.17 35.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.77 20.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -12.94 34.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -91.92 -20.09 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -96.02 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -43.99 -38.55 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLN . 1.7 tmtp? -67.76 -51.52 48.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' LYS . 13.0 tt0 -34.49 -54.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 mtt -61.81 -53.74 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -47.5 -49.18 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -59.31 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -53.85 -60.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.459 ' CD1' HG22 ' A' ' 84' ' ' VAL . 8.7 mm -56.14 -67.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -38.68 -38.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.48 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 33.2 m -64.19 -51.33 64.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . 58.9 t -65.92 -58.24 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 22' ' ' ILE . 48.5 mt -41.82 -25.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' ND2' ' HA ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -99.76 -32.52 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.518 ' CG ' HG21 ' A' ' 111' ' ' VAL . 3.7 t80 -39.7 132.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -121.22 144.0 48.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.31 159.01 30.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.5 m -39.83 -35.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.8 p -56.24 -45.83 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.21 33.16 0.98 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 18.9 ttp-105 -136.73 145.35 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 110.905 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.59 100.73 10.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -50.81 -34.32 27.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 p -42.75 -24.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 16.4 mt-10 -43.38 -63.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.96 -8.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 108' ' ' LEU . 85.7 m-85 -111.03 20.05 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 mm -83.5 -57.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.441 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 17.5 pt20 -131.96 163.68 27.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 59' ' ' PRO . 16.2 mt -110.42 159.53 31.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ARG . 11.7 t -42.79 125.72 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.3 ttm180 -35.49 -42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.12 -52.61 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -59.3 -51.87 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 tp -132.92 79.7 62.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.36 12.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.85 -42.0 71.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.488 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 11.6 t80 -53.77 -27.5 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -87.35 -17.59 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.25 -57.97 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.75 -38.42 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 26.2 mm -75.27 119.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -61.15 -59.74 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -132.52 97.35 17.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.689 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.8 84.01 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.17 149.94 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -140.47 168.55 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -52.34 -30.0 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.441 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 12.6 mtpp -65.29 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -86.08 -48.27 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -49.59 -36.22 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -78.85 -41.92 28.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.27 -59.89 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -43.74 -52.41 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.4 mt -48.75 -45.82 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -70.24 -25.5 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -98.19 10.27 40.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 43.56 48.12 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -87.38 -37.35 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -66.42 157.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -97.5 -37.45 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.9 p -168.39 159.47 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 tp -38.26 -37.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.7 -47.45 9.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -62.56 -58.03 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' ASP . 11.6 tp -34.42 -51.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.36 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -42.14 -44.54 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 112' ' ' PHE . 79.8 t -69.02 -28.15 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -47.49 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.1 -57.64 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 88' ' ' CYS . 1.0 OUTLIER -38.53 -43.87 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.419 ' N ' HD23 ' A' ' 87' ' ' LEU . 88.6 m -67.1 -63.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -40.38 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -37.33 -50.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.04 -45.13 64.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -70.02 -30.58 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.1 m -67.0 -32.15 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -94.47 -53.19 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.96 158.0 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.01 169.67 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 99' ' ' SER . 42.9 mp0 -79.2 169.44 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.4 30.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.2 t -94.16 165.45 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -53.35 -45.68 69.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.5 mt -75.86 -49.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.478 ' CE2' HD12 ' A' ' 106' ' ' ILE . 54.9 t80 -37.25 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.57 -44.51 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.21 -59.27 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 p -45.06 -43.16 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.478 HD12 ' CE2' ' A' ' 102' ' ' TYR . 3.1 mp -64.69 -34.39 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 110' ' ' SER . 99.2 t -72.5 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 40' ' ' PHE . 42.7 mt -38.43 -36.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -66.66 -44.32 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' VAL . 1.7 t -62.1 -30.99 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.518 HG21 ' CG ' ' A' ' 28' ' ' TYR . 18.9 t -72.52 -43.35 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CD2' HG13 ' A' ' 84' ' ' VAL . 22.5 t80 -58.16 -55.04 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.48 -52.08 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -56.2 -60.99 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.85 -31.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttt-85 -78.89 -52.44 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -42.54 -52.19 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.2 t -85.75 31.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 41.27 -101.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.0 m -71.39 162.95 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 t -104.89 -51.45 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -165.75 169.83 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -100.97 155.58 17.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.13 -52.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -105.59 -54.12 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -48.61 -59.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.18 150.56 22.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -71.74 143.75 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.2 Cg_endo -69.79 137.82 36.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 9' ' ' PRO . 4.3 m-20 -38.03 139.8 0.6 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.09 43.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 -34.37 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' CD1' ' HE1' ' A' ' 18' ' ' MET . 2.1 tm? -82.6 -56.1 4.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -44.24 -42.6 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLN . 33.4 mttm -67.33 -57.23 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.7 tp60 -34.8 -57.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.469 ' HE1' ' CD1' ' A' ' 14' ' ' LEU . 8.0 mtm -54.2 -53.2 56.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -52.23 -49.71 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.64 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.7 mt -66.46 -66.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASP . 10.1 mm -48.21 -59.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ILE . 23.7 t0 -33.84 -53.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -63.42 -46.64 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.29 -60.27 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.5 mt -56.88 -35.6 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.23 44.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.522 ' CD2' HG21 ' A' ' 111' ' ' VAL . 33.0 t80 -103.66 134.05 47.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.424 ' CB ' ' HA2' ' A' ' 33' ' ' GLY . 15.4 pttp -90.96 141.57 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -109.26 -50.55 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -123.44 -74.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -112.86 49.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' ARG . . . 79.68 -41.56 2.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.456 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.9 tpt180 -35.44 108.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' CG ' ' HG3' ' A' ' 38' ' ' GLU . 9.8 pt20 -72.75 112.78 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.17 -33.72 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.498 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 82.1 p -48.09 -19.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HG3' ' CG ' ' A' ' 35' ' ' GLN . 29.7 mt-10 -49.01 -57.79 5.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.92 -3.1 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.47 18.38 16.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mm -88.22 -60.53 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.58 158.65 16.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.2 mt -127.07 156.19 74.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.65 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -41.48 146.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -54.21 -25.52 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -72.56 -56.67 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.31 -63.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 15.0 tp -119.41 83.49 26.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -41.85 3.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 16.7 pt-20 -47.88 -48.84 31.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.469 ' CZ ' HG13 ' A' ' 56' ' ' ILE . 83.0 t80 -42.48 -48.57 5.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.61 -31.04 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' GLU . 73.3 mt-10 -60.39 -57.64 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -44.17 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.469 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 19.1 mm -67.14 126.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -65.1 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -132.49 93.18 25.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 91.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.497 ' CG1' ' OD1' ' A' ' 83' ' ' ASP . 12.7 p -104.64 133.84 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' PHE . 50.5 p-10 -111.82 148.33 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.498 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 6.8 m-85 -36.74 -63.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' PHE . 13.5 mtpp -34.58 -58.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 67' ' ' GLU . 16.1 tppt? -50.52 -59.2 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.5 mt -41.8 -37.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.486 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.97 -37.33 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' LYS . 10.1 tt0 -49.14 -51.69 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' ASN . 39.4 mtp85 -53.01 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.3 mt -38.44 -40.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -80.49 -34.09 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' ARG . 39.3 m-20 -87.59 22.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.68 -37.78 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.496 ' CE2' HD12 ' A' ' 80' ' ' LEU . 3.8 m-85 -64.63 145.31 56.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -99.49 -34.93 10.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 m -163.59 157.72 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tt -42.48 -51.57 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.28 -48.04 3.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 -55.51 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' CE2' ' A' ' 74' ' ' TYR . 25.2 tp -41.44 -49.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.9 tt0 -49.87 -59.23 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 28.0 mtpp -34.41 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.497 ' OD1' ' CG1' ' A' ' 60' ' ' VAL . 10.4 t0 -73.7 -60.04 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.459 HG22 ' CE1' ' A' ' 112' ' ' PHE . 85.3 t -40.08 -50.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.54 -32.81 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.4 tm? -67.53 -41.46 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 HD21 ' N ' ' A' ' 88' ' ' CYS . 0.9 OUTLIER -60.36 -37.9 82.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.466 ' N ' HD21 ' A' ' 87' ' ' LEU . 80.0 m -71.47 -58.4 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 89' ' ' HIS . 3.1 t60 -46.56 -47.21 19.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -52.79 -36.35 58.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.06 -59.71 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.83 -29.78 29.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.5 m -59.56 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -78.71 -53.44 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.03 165.51 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 4.2 mm? -92.27 162.85 14.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 99' ' ' SER . 30.5 mt-10 -68.33 159.56 31.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 33.96 32.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' GLU . 36.4 t -94.4 153.3 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 99' ' ' SER . 8.6 tp-100 -34.15 -57.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . 71.5 mt -68.61 -45.72 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.419 ' C ' ' O ' ' A' ' 101' ' ' ILE . 20.5 t80 -36.72 -61.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -49.52 -39.21 33.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 4.5 m-20 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -54.79 -43.02 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.5 mp -67.49 -55.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' LEU . 95.4 t -50.8 -57.31 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.1 mt -36.03 -52.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -47.96 -58.17 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.16 -32.43 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.522 HG21 ' CD2' ' A' ' 28' ' ' TYR . 15.3 t -72.62 -52.35 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.459 ' CE1' HG22 ' A' ' 84' ' ' VAL . 75.2 t80 -52.44 -53.98 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -57.02 -46.04 82.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -59.25 -36.66 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.59 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -43.54 -60.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.8 -55.89 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.7 t -45.5 113.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 145.38 -99.35 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -28.75 24.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 t -48.85 147.97 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.1 t -124.29 -56.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -141.32 141.04 33.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -145.98 161.66 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.03 48.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -106.07 163.56 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -109.63 94.33 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.15 96.16 1.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -138.31 144.02 41.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.759 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 125.62 12.34 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.43 143.93 85.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.41 ' HG2' ' CB ' ' A' ' 14' ' ' LEU . 53.7 Cg_endo -69.72 168.62 21.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.98 17.46 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -72.51 -29.75 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -91.81 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -43.92 -43.51 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -68.96 -55.35 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.7 -56.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.423 ' HE3' ' CD1' ' A' ' 14' ' ' LEU . 6.7 mtm -53.04 -54.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -53.75 -59.47 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.28 -47.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 65.7 mt -59.76 -64.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 15.2 mm -53.2 -60.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.9 t0 -34.34 -48.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 m -66.32 -51.65 55.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 46.7 t -59.24 -23.26 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.485 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 73.4 mt -97.26 -25.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 10.7 p30 -105.62 16.57 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 29' ' ' LYS . 34.6 t80 -81.14 146.5 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CE2' ' A' ' 28' ' ' TYR . 9.9 ptpp? -103.93 146.61 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -83.67 -59.08 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.5 p -130.44 -53.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 m -101.82 -73.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.32 26.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLN . 4.5 tmm_? -100.02 77.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 34' ' ' ARG . 9.0 pt20 -34.67 139.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.22 -26.08 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -53.02 -16.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.442 ' HG3' ' CG ' ' A' ' 35' ' ' GLN . 12.1 mt-10 -53.12 -44.05 67.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -80.85 -4.33 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.413 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 85.6 m-85 -115.01 13.74 17.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.3 mm -70.28 -57.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.9 -175.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.3 mt -134.41 158.43 75.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' CG ' HD21 ' A' ' 49' ' ' LEU . 54.1 Cg_endo -69.73 132.24 22.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 t -50.93 156.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -64.8 -46.49 81.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -44.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.97 -56.84 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD21 ' CG ' ' A' ' 44' ' ' PRO . 51.8 tp -123.95 75.27 57.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.82 15.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.75 -38.06 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -57.19 -21.73 35.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.9 -7.18 37.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.18 -53.85 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.39 -34.21 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 38.6 mm -78.91 139.56 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -82.33 -58.16 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -132.37 85.51 48.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.55 0.69 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 15.0 p -94.81 164.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.1 OUTLIER -136.33 153.63 51.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -54.12 -28.98 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.5 mtpp -65.85 -25.85 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.99 -48.45 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.99 -35.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HD3' ' CG2' ' A' ' 22' ' ' ILE . 2.6 mmmm -80.09 -37.02 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.01 -41.8 62.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.6 mtt-85 -65.65 -54.83 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.9 mt -46.85 -56.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 10.4 ptm180 -59.36 -31.64 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.441 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 26.0 m-20 -94.47 20.68 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 39.24 29.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.675 ' HZ1' ' N ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -66.49 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.675 ' N ' ' HZ1' ' A' ' 73' ' ' LYS . 12.8 m-85 -37.86 146.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -92.42 -34.73 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 77' ' ' LEU . 35.3 p -165.77 152.25 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' SER . 4.0 tp -35.97 -42.94 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.4 -48.37 3.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.37 -49.57 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.68 -64.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LYS . 59.1 tt0 -41.62 -63.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 81' ' ' GLU . 41.7 mtmt -35.76 -47.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -49.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.443 HG11 ' CD1' ' A' ' 112' ' ' PHE . 89.8 t -49.63 -54.51 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.4 mmt -62.4 -28.92 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -53.04 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.67 -37.86 30.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.6 m -77.19 -51.65 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -49.72 -54.33 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -49.62 -36.6 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.78 -63.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -47.15 -35.34 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.2 m -61.72 -36.74 81.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -92.97 -58.8 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -58.35 135.19 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.07 153.91 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 99' ' ' SER . 28.0 mt-10 -67.89 171.25 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.89 31.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -98.25 -178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -65.02 -56.68 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.9 mt -66.24 -47.56 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.465 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 41.0 t80 -38.19 -70.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -40.0 -40.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 1.0 OUTLIER -60.97 -55.96 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.9 p -44.39 -37.08 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -72.36 -38.27 60.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' LEU . 57.9 t -63.61 -57.13 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' VAL . 37.7 mt -35.93 -48.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -51.54 -55.61 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -34.43 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.4 t -71.39 -43.98 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.46 ' HA ' ' CG2' ' A' ' 25' ' ' VAL . 62.4 t80 -50.15 -63.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 116' ' ' ARG . 21.8 mtpt -44.54 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m -38.14 -47.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.55 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' LYS . 36.0 tpt85 -69.53 -33.32 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -59.79 -59.76 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.4 t -46.14 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.55 -90.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.05 33.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -67.19 93.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 t -126.91 -33.09 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -112.45 116.6 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -166.49 138.42 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.71 165.6 24.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.42 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 p -95.69 170.41 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -129.58 151.46 50.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.73 120.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -66.94 140.2 96.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.529 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 54.1 Cg_endo -69.73 155.34 66.27 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -48.55 144.48 6.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 160.07 51.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.78 35.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -86.19 -38.49 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.72 -54.17 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 m -51.93 -53.28 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -46.14 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -40.59 -54.79 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' A' ' 74' ' ' TYR . 7.8 mtt -50.89 -51.49 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ALA . 10.6 m-80 -60.81 -59.63 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.64 -44.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.4 mt -65.67 -72.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 14.3 mm -43.81 -55.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' ILE . 15.4 t0 -38.18 -50.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.3 m -66.61 -59.2 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.4 t -45.46 -62.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.458 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 80.1 mt -52.56 -41.74 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -100.69 46.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 8.8 t80 -103.82 153.14 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 19.0 pttp -111.85 135.89 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 31' ' ' SER . 1.3 p30 -93.72 -50.95 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 33.1 t -130.1 -65.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -119.76 69.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 29' ' ' LYS . . . 50.85 31.16 23.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -78.84 130.55 35.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -91.39 104.93 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.0 mt -67.11 -46.28 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 40' ' ' PHE . 3.9 p -42.56 -24.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 21.4 mt-10 -36.53 -70.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -62.96 -15.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 37' ' ' SER . 50.8 m-85 -103.95 20.36 18.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mm -85.0 -67.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 11.5 tm0? -119.06 147.02 44.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 11.5 mt -98.62 156.02 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.9 66.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -67.08 120.09 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -42.16 -43.3 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -50.55 -49.18 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -73.58 -45.27 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.412 HD12 ' CG ' ' A' ' 51' ' ' GLU . 41.6 tp -127.73 76.37 77.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.09 3.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' CG ' HD12 ' A' ' 49' ' ' LEU . 6.4 pt-20 -46.74 -43.82 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -50.14 -35.98 28.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -81.51 -20.86 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.57 -55.84 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -40.83 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.2 mm -74.58 134.46 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -80.81 -57.97 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.68 86.78 57.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.74 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.2 p -109.8 163.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.413 ' CG ' ' HG ' ' A' ' 43' ' ' LEU . 14.8 m-20 -142.95 -176.82 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.409 ' CD1' ' CG1' ' A' ' 26' ' ' ILE . 29.1 m-85 -71.1 -17.86 62.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' C ' ' HE2' ' A' ' 64' ' ' LYS . 19.0 mtpp -78.19 -28.43 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HE2' ' CA ' ' A' ' 64' ' ' LYS . 0.9 OUTLIER -88.47 -43.42 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.31 -52.05 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' GLU . 24.3 mttt -59.86 -55.43 34.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LYS . 23.3 mt-10 -38.13 -53.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -50.36 -49.15 54.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.2 mt -51.12 -65.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -12.39 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.17 1.22 57.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 96.6 m-70 56.49 36.94 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -49.74 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.41 ' HB3' ' CE ' ' A' ' 18' ' ' MET . 4.9 m-85 -49.94 118.36 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -74.58 -38.0 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -152.1 172.13 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.34 -33.55 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.89 88.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.39 -43.09 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 45.0 tp -55.41 -49.66 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' OE1' ' CE1' ' A' ' 112' ' ' PHE . 4.6 tp10 -48.3 -54.64 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -44.43 -54.22 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.86 -53.91 49.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.2 t -46.59 -54.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.2 mmt -60.33 -29.28 68.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.4 -54.91 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' C ' HD21 ' A' ' 87' ' ' LEU . 1.0 OUTLIER -46.62 -37.64 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 57.2 m -72.46 -57.27 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -45.29 -60.08 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.405 ' ND2' ' HA ' ' A' ' 59' ' ' PRO . 62.8 m-20 -40.44 -29.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.44 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -56.09 -22.35 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.1 m -76.03 -28.67 57.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -103.52 -57.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.472 ' ND2' HG21 ' A' ' 101' ' ' ILE . 41.2 m-80 -67.65 138.88 56.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mp -52.72 -178.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.524 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 30.7 mt-10 -84.58 165.11 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.18 32.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 40.8 t -97.81 166.66 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.817 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -41.9 -51.74 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.472 HG21 ' ND2' ' A' ' 95' ' ' ASN . 7.4 mm -67.69 -49.24 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.524 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 8.7 t80 -41.19 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -48.97 -54.94 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.98 -46.66 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 p -59.53 -44.04 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.0 -42.02 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.1 t -63.09 -55.31 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 62.3 mt -38.86 -44.51 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -55.95 -55.45 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -53.57 -24.08 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.0 t -82.98 -47.42 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.424 ' CE1' ' OE1' ' A' ' 81' ' ' GLU . 51.1 t80 -54.97 -50.05 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -56.6 -64.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -52.91 -39.14 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -59.63 -57.8 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.46 -57.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.6 p -150.45 152.03 33.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.14 179.36 39.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.16 43.14 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.8 p -173.82 143.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.9 t -73.43 86.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -131.09 166.31 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -99.84 -43.38 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.68 -70.7 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 m -71.16 151.56 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -109.69 159.69 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.21 114.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -133.12 127.27 19.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.78 33.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -87.41 151.6 51.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -69.53 -45.62 68.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.73 -57.44 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 m -42.79 -49.02 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLN . 53.6 mttm -59.84 -58.47 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . 36.8 tt0 -35.63 -56.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.8 mtt -51.65 -52.17 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ALA . 69.0 m-20 -58.16 -59.62 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -36.19 -36.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 49.9 mt -71.96 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 26' ' ' ILE . 9.1 mm -49.03 -56.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 10.0 t70 -38.14 -59.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.8 m -56.7 -41.36 77.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.1 -62.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 22' ' ' ILE . 90.7 mt -57.81 -36.47 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 43.2 m-20 -69.95 -39.73 75.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -41.25 148.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -133.33 152.8 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -58.9 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 32' ' ' SER . 77.7 p -115.59 67.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m 34.06 48.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.54 -45.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.32 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -66.47 144.35 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -102.29 -49.87 3.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 p -42.45 -23.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.6 mt-10 -50.62 -51.54 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 40' ' ' PHE . 2.0 m -73.93 2.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.47 ' CD2' HG21 ' A' ' 39' ' ' VAL . 93.6 m-85 -117.73 4.99 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mm -73.11 -73.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -99.36 152.49 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.3 mt -103.05 159.21 29.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.646 0.736 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.76 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -47.67 135.97 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PRO . 83.6 mtm180 -53.01 -41.34 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -54.47 -54.79 36.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.07 -55.83 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD22 ' CE2' ' A' ' 94' ' ' PHE . 59.0 tp -125.58 74.78 69.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.74 -49.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' CG ' HD13 ' A' ' 49' ' ' LEU . 9.5 pt-20 -40.42 -43.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 2.5 t80 -43.87 -42.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -72.0 -32.35 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -56.49 -61.69 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.73 -47.34 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.71 135.79 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -87.98 -63.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -111.73 81.23 3.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 80.0 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -95.03 152.54 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -129.06 -176.06 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.38 -36.41 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 14.8 mmmt -58.76 -48.13 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -61.34 -59.27 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -39.01 -47.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -62.95 -54.59 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 63' ' ' LYS . 1.4 mp0 -43.51 -60.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 9.4 mmm180 -37.99 -50.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mt -55.99 -43.57 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -70.67 -30.39 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' HIS . 31.8 m-20 -94.33 21.36 7.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ASN . 56.8 m-70 37.71 51.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -41.97 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.1 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -91.15 -38.71 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 t -150.15 169.52 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.37 -49.31 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.38 -40.33 2.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -57.25 -51.99 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 40.6 tp -51.78 -43.67 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.79 -48.47 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.98 -54.87 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -61.14 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.455 HG12 ' CE ' ' A' ' 85' ' ' MET . 90.9 t -39.43 -57.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.455 ' CE ' HG12 ' A' ' 84' ' ' VAL . 38.2 mmt -59.34 -38.21 79.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 ' CD1' ' ND2' ' A' ' 90' ' ' ASN . 1.0 OUTLIER -60.04 -47.13 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' C ' HD21 ' A' ' 87' ' ' LEU . 1.2 tt -56.48 -30.92 63.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.3 m -83.84 -16.41 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.34 -59.24 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.466 ' ND2' ' CD1' ' A' ' 86' ' ' LEU . 1.1 p30 -51.97 -31.07 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.62 -30.49 70.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 94.9 m -62.48 -46.36 88.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CE2' HD22 ' A' ' 49' ' ' LEU . 2.5 t80 -79.82 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.47 152.65 33.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.97 160.11 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.558 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 14.4 mp0 -69.72 161.51 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.36 32.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.7 t -92.23 -174.97 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.67 -62.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.77 -40.62 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.558 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 19.2 t80 -41.44 -66.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.51 -41.79 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -59.16 -53.33 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.0 p -47.44 -34.01 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.0 mp -78.46 -41.99 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.9 t -60.83 -61.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 107' ' ' VAL . 54.4 mt -36.42 -45.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -56.49 -56.56 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.7 m -50.8 -25.65 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 t -83.39 -40.75 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -57.49 -41.45 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -46.65 77.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -53.41 -42.56 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -64.41 -41.77 96.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' SER . 38.7 mm-40 -63.6 -58.51 6.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLN . 2.8 m -38.49 -63.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 91.08 -162.6 28.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -43.14 2.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.9 m -77.12 145.18 37.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.1 p -112.92 177.47 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.3 t -82.23 107.99 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.806 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 36.3 m -36.21 137.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.7 -120.63 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -117.2 148.49 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 m -47.49 114.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.04 -165.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.1 p -123.24 138.65 30.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 92.12 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.62 152.42 2.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 169.96 17.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -64.04 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.47 ' CD2' ' HE1' ' A' ' 18' ' ' MET . 6.9 tt -81.12 -59.15 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.3 m -42.6 -52.47 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -57.73 -45.25 86.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -38.15 -54.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.47 ' HE1' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.73 -57.05 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' ILE . 71.9 m-80 -58.18 -60.73 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.81 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.495 ' N ' ' O ' ' A' ' 19' ' ' ASN . 45.9 mt -82.51 -48.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 17.0 mm -65.6 -53.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -45.6 -22.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -94.16 -33.57 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 87.7 t -75.47 -51.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.467 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 94.9 mt -62.96 -35.46 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.529 HD21 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -71.11 -42.78 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.49 ' CG ' HG21 ' A' ' 111' ' ' VAL . 20.7 t80 -36.48 148.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -133.55 151.03 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.72 157.38 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -39.3 -43.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -62.0 -51.15 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.0 41.17 0.22 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -118.21 157.64 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.308 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -95.61 94.42 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.99 -43.21 91.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 p -43.06 -24.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.2 -57.96 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.01 -3.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.549 ' CD2' HD12 ' A' ' 108' ' ' LEU . 97.7 m-85 -113.6 8.63 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.1 mm -74.73 -56.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 167.38 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD21 ' CZ ' ' A' ' 52' ' ' TYR . 15.7 mt -114.8 159.92 35.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.79 120.95 7.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -39.99 155.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -68.65 -57.34 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -43.95 -44.3 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.16 -52.41 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 tp -131.98 79.34 67.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -70.05 -41.4 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 8.1 t80 -52.98 -22.95 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -94.6 -29.09 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.3 -61.41 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 -43.19 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 49.8 mm -70.34 130.93 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.6 mmm180 -71.78 -63.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -130.22 88.81 46.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 111.93 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -130.46 148.98 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' HA ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -124.07 -179.39 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' LYS . 8.9 m-85 -65.43 -67.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.62 -26.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.68 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 57.9 mt -42.19 -42.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -69.02 -33.95 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 18.4 tp10 -60.01 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 13.8 mmm-85 -82.52 -47.71 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.0 mt -46.66 -56.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -62.48 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' HIS . 86.8 m-20 -85.33 21.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 35.3 m-70 35.66 37.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -46.7 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.407 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -65.41 120.94 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -42.85 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.1 p -154.22 170.81 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.1 tp -50.4 -47.79 56.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.88 -41.38 2.55 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.6 -53.44 56.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 16.2 tp -43.68 -50.65 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.1 tt0 -48.46 -63.86 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.3 mtmm -37.25 -38.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.95 -58.35 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.556 HG11 ' CD1' ' A' ' 112' ' ' PHE . 92.1 t -41.94 -55.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.46 ' HE2' ' CD2' ' A' ' 112' ' ' PHE . 34.7 mmt -59.94 -32.02 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.8 tp -69.2 -52.84 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -53.43 -28.66 31.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 m -87.34 -19.0 28.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -84.39 -57.63 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -19.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.54 -34.96 60.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -82.22 -29.78 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -62.25 -37.35 85.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -87.77 -59.28 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -60.56 165.05 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.11 169.09 12.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.1 mt-10 -73.54 162.65 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.74 30.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -91.18 177.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -58.14 -54.03 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.9 mt -71.31 -41.83 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.422 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 13.1 t80 -44.48 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -40.6 -45.03 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -56.28 -55.8 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.7 p -45.28 -36.06 3.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.4 -38.33 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 90.5 t -65.21 -62.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.549 HD12 ' CD2' ' A' ' 40' ' ' PHE . 29.2 mt -39.08 -41.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 t -56.52 -27.82 58.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.49 HG21 ' CG ' ' A' ' 28' ' ' TYR . 3.8 t -78.58 -41.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.556 ' CD1' HG11 ' A' ' 84' ' ' VAL . 71.3 t80 -55.83 -53.91 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -49.01 -56.22 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -60.58 -38.48 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -38.51 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -74.78 -64.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -41.84 -65.82 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.0 p -106.37 139.24 41.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -113.69 174.95 16.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -23.18 30.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -99.15 160.49 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.2 t -77.4 111.84 13.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -78.68 -42.19 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.393 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -82.49 164.38 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.95 142.84 6.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -129.5 147.32 51.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -151.43 167.09 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.94 173.68 27.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -111.76 143.61 28.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 121.54 8.24 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.98 150.8 44.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.17 19.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.05 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -75.17 -35.66 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 7.4 tt -84.2 -57.37 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 94.3 m -51.59 -53.43 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 19.8 tptm -45.65 -52.59 10.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -41.64 -49.37 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.404 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 43.8 mtt -52.72 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -44.67 -47.85 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.08 -35.32 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.451 ' CD1' HD13 ' A' ' 77' ' ' LEU . 34.2 mt -81.1 -65.71 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 21.5 mm -46.68 -53.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' ILE . 8.1 t70 -35.4 -59.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 28' ' ' TYR . 92.4 m -55.64 -67.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.66 -62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.462 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 51.1 mt -54.95 -33.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -106.02 30.55 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -104.76 152.42 22.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 47.5 pttt -133.28 137.98 46.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.37 65.9 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t 40.33 45.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -133.48 -46.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.79 6.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -88.35 114.3 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.464 ' CB ' ' HG3' ' A' ' 38' ' ' GLU . 9.2 mt-30 -48.09 155.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.8 mt -99.61 -49.06 4.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.3 p -61.02 -22.11 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.464 ' HG3' ' CB ' ' A' ' 35' ' ' GLN . 23.5 mt-10 -50.25 -41.96 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.493 HG21 ' CD2' ' A' ' 40' ' ' PHE . 2.8 m -82.16 -8.01 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CD2' HG21 ' A' ' 39' ' ' VAL . 80.6 m-85 -114.05 18.36 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.6 mm -75.14 -64.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -107.78 154.62 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -112.96 156.31 42.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 119.91 6.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p -59.13 146.8 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -50.17 -49.98 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -44.51 -43.67 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -76.55 -57.38 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 44.8 tp -133.02 86.99 41.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -38.07 8.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.6 pt-20 -50.79 -43.04 58.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.423 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 88.4 t80 -44.35 -32.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -86.58 -28.8 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 34.9 mm-40 -59.52 -48.02 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.04 -47.05 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.28 134.7 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -83.22 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' O ' ' ND2' ' A' ' 90' ' ' ASN . 44.3 mttt -123.43 82.75 52.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 80.23 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.7 p -88.83 154.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.52 169.26 14.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.465 ' CE2' HD22 ' A' ' 87' ' ' LEU . 13.1 m-85 -69.29 -14.01 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -80.79 -24.27 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 1.4 mmpt? -88.2 -39.27 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 80' ' ' LEU . 26.9 mt -60.51 -38.16 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -71.97 -53.24 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -45.16 -56.13 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 10.7 mmm180 -43.71 -51.48 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.38 -36.76 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -76.15 -37.33 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.49 22.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 39.98 42.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.05 -58.61 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -56.0 147.75 19.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -102.19 -35.9 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.5 p -160.43 173.58 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.451 HD13 ' CD1' ' A' ' 21' ' ' ILE . 2.6 mm? -51.82 -34.59 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -21.3 9.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.87 -33.49 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' A' ' 65' ' ' ILE . 12.0 tp -74.28 -44.78 51.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.09 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.05 -31.05 64.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -38.35 23.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.4 t -68.05 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.426 ' HE3' ' N ' ' A' ' 85' ' ' MET . 32.6 mmt -51.18 -26.6 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.8 tp -74.32 -48.59 27.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.465 HD22 ' CE2' ' A' ' 62' ' ' PHE . 3.7 tt -53.32 -26.39 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.5 m -86.74 -36.67 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 89' ' ' HIS . 3.0 t60 -69.5 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 58' ' ' LYS . 70.4 m-20 -51.57 -32.95 30.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.81 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -71.01 -20.91 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.8 m -74.09 -33.52 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -94.98 -58.3 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -52.72 172.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.532 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 8.9 mp -94.16 174.23 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 99' ' ' SER . 4.1 mp0 -86.32 163.42 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.26 29.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.8 t -92.32 174.56 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -61.25 -54.36 45.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.15 -46.58 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 24.7 t80 -41.8 -55.68 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -51.89 -38.73 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.22 -59.92 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mp -62.37 -50.16 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 108' ' ' LEU . 96.1 t -59.11 -51.83 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 107' ' ' VAL . 23.8 mt -35.83 -57.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -45.78 -59.45 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.2 t -49.5 -27.6 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 28' ' ' TYR . 14.7 t -80.1 -34.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -64.22 -50.57 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.54 -58.88 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -48.11 -42.07 28.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . -49.69 -59.79 3.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' ALA . 14.6 mtp85 -35.81 -57.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -74.33 -68.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -100.32 111.66 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -101.75 -99.09 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 141.71 46.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -140.09 158.09 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.5 t -134.95 118.76 17.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -48.49 159.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -115.13 151.28 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.45 170.58 14.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -128.0 -60.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -85.06 125.64 32.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.57 -100.08 1.41 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -141.46 147.25 45.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 122.25 8.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -68.01 148.92 98.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.9 26.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -24.94 29.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -71.03 -47.03 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 5.2 tt -72.97 -56.49 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.6 m -50.11 -44.22 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.44 -43.15 95.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -52.95 -47.12 68.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.435 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 8.9 mtm -63.43 -45.79 89.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 74.3 m-20 -59.74 -58.66 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.5 -43.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.568 HG21 ' CE1' ' A' ' 112' ' ' PHE . 19.2 mt -63.27 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 12.1 mm -57.98 -57.63 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.6 t0 -34.17 -47.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.1 m -69.9 -44.42 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ILE . 76.6 t -59.01 -52.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.477 ' CD1' ' CG2' ' A' ' 22' ' ' ILE . 76.2 mt -63.73 -38.34 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -95.32 34.98 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.433 ' CD1' HG21 ' A' ' 111' ' ' VAL . 6.9 t80 -106.96 154.96 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 64.8 mttt -122.66 135.85 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -103.84 -52.29 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 t -90.57 21.6 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 61.74 50.26 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.33 -52.68 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 18.3 ttm105 -72.36 133.3 44.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.406 ' HB3' ' CD ' ' A' ' 38' ' ' GLU . 8.3 tt0 -94.5 146.66 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER -100.78 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p -39.24 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' LEU . 64.1 mt-10 -50.57 -51.44 48.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 9.2 m -73.53 2.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 42.3 m-85 -125.21 17.93 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.8 mm -75.24 -72.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -114.02 151.62 32.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -92.93 157.72 38.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.47 69.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t -68.79 119.37 13.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 4.3 tmm_? -37.55 -34.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -68.21 -46.13 71.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' SER . 5.6 mm-40 -69.1 -51.88 34.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -126.03 76.03 71.77 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.559 0.695 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -47.92 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -41.44 -46.11 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.35 -43.1 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -71.91 -30.22 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.87 -58.91 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 12.7 mm -63.61 139.44 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -92.71 -61.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -118.14 84.9 23.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 128.15 15.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.0 p -153.52 154.08 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' HA ' ' CD1' ' A' ' 87' ' ' LEU . 4.2 p30 -132.35 -175.49 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.59 -34.43 77.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -45.67 -47.0 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.404 ' CG2' HD11 ' A' ' 80' ' ' LEU . 96.8 mt -51.35 -41.94 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.19 -38.78 42.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -47.53 -37.98 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -75.02 -29.67 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.44 -73.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -52.74 -30.62 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.434 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 30.7 m-20 -72.26 -22.37 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 18.1 m-70 72.47 54.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -109.98 -39.59 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CE2' HD13 ' A' ' 80' ' ' LEU . 2.7 m-85 -47.82 145.86 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.39 -36.0 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 m -173.11 163.93 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -46.0 -44.22 14.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.66 -33.75 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.1 m-20 -72.17 -57.84 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 79' ' ' ASP . 37.6 tp -35.3 -43.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' LYS . 43.5 tt0 -61.78 -56.95 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . 13.4 mmtp -34.32 -48.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -73.27 -55.3 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.8 t -40.15 -57.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.9 mmt -56.12 -43.84 78.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.76 -49.47 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -49.91 -35.51 24.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.1 m -74.17 -40.13 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' ASN . 11.7 t60 -57.73 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' HIS . 78.5 m-20 -36.49 -45.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.87 -59.18 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -47.68 -20.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.9 m -89.55 -50.33 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -64.8 -59.41 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -76.29 135.8 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.88 173.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.56 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.8 mp0 -79.52 167.03 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.11 27.74 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.2 t -92.04 174.83 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -59.41 -46.67 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.0 mt -77.17 -29.16 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.56 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 23.7 t80 -59.05 -69.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.54 -48.5 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -47.47 -52.26 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.4 p -53.01 -38.63 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.496 HD12 ' CE2' ' A' ' 102' ' ' TYR . 3.0 mp -68.41 -41.2 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' LEU . 84.4 t -63.22 -54.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 107' ' ' VAL . 61.1 mt -36.11 -59.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -43.24 -57.66 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t -47.32 -29.92 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 28' ' ' TYR . 14.6 t -81.41 -43.21 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.568 ' CE1' HG21 ' A' ' 21' ' ' ILE . 77.1 t80 -63.63 -55.29 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.24 -58.66 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 m -57.12 -45.27 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.02 -51.83 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -59.98 -57.82 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -46.73 -62.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.9 t -56.62 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -127.7 -167.69 12.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.26 20.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 t -100.05 -60.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -93.63 108.49 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -83.13 153.56 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -128.89 142.71 50.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.27 166.63 14.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -76.92 116.62 17.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -39.35 -38.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.31 80.5 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -121.46 156.97 57.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -68.2 146.13 97.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.69 23.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.43 36.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -80.93 -54.07 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.3 -45.01 93.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 18' ' ' MET . 8.5 m -60.27 -65.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.424 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 31.3 tttp -37.44 -42.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -60.36 -47.19 87.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' THR . 6.4 mtt -58.7 -63.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' OD1' ' HA ' ' A' ' 16' ' ' LYS . 1.9 p30 -55.7 -35.23 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.76 -60.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.463 ' CG2' HD13 ' A' ' 26' ' ' ILE . 8.0 mm -55.81 -58.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.2 t0 -34.23 -50.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.7 m -63.02 -60.3 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.405 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 74.1 t -45.48 -55.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.463 HD13 ' CG2' ' A' ' 22' ' ' ILE . 57.6 mt -60.92 -40.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -96.94 36.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 2.8 t80 -109.98 140.34 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -108.85 143.53 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -106.07 -62.76 1.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -140.39 139.22 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t 58.34 36.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 49.61 25.0 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -95.9 109.52 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 26' ' ' ILE . 48.9 tt0 -57.99 155.95 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 mp -103.32 -48.66 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.418 ' OG ' ' CE2' ' A' ' 62' ' ' PHE . 1.7 m -53.22 -15.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -39.46 66.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.1 m -85.82 1.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 80.3 m-85 -119.83 9.07 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -66.04 -74.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -100.12 164.47 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.4 mt -121.47 157.97 54.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.45 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.376 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -48.87 174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -80.42 -40.98 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -63.11 -50.57 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.18 -59.13 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 51' ' ' GLU . 25.6 tp -131.01 84.27 58.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -41.25 4.45 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 49' ' ' LEU . 4.6 pt-20 -49.61 -39.27 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -49.28 -37.87 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.86 -19.41 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -70.3 -61.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.7 -44.96 80.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.423 HG23 ' N ' ' A' ' 57' ' ' ARG . 49.6 mm -69.63 139.36 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.423 ' N ' HG23 ' A' ' 56' ' ' ILE . 12.5 mmm180 -83.55 -61.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.0 mttp -128.4 82.96 67.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.886 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 81.66 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.8 p -88.05 154.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.09 166.13 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE2' ' OG ' ' A' ' 37' ' ' SER . 9.7 m-85 -65.89 -25.85 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.64 -53.66 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.37 -42.02 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.1 mt -54.67 -40.23 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HD3' ' CD1' ' A' ' 26' ' ' ILE . 23.4 mtmm -79.77 -39.42 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.74 -20.95 9.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -84.38 -37.09 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.06 -35.38 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.77 -22.78 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -94.09 18.63 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 42.54 40.6 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -85.36 -63.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -39.18 116.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 -68.76 -31.43 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -160.15 163.23 33.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.5 -48.64 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.63 -39.13 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.09 -55.78 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 29.2 tp -42.29 -39.43 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' LYS . 42.6 tt0 -60.99 -64.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' GLU . 88.1 mttt -36.78 -40.54 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 86' ' ' LEU . 41.2 t0 -73.62 -62.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.434 HG22 ' CE2' ' A' ' 112' ' ' PHE . 96.7 t -37.8 -57.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.2 mmt -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 83' ' ' ASP . 18.9 tp -67.52 -58.02 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.42 HD23 ' C ' ' A' ' 87' ' ' LEU . 1.8 tt -43.26 -29.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.1 m -85.8 -41.37 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -60.01 -62.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -39.06 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.5 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.95 -40.6 96.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.0 m -51.69 -30.99 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -97.96 -55.62 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -63.24 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -72.65 178.56 4.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 1.4 mp0 -92.9 158.52 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.29 25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 p -88.75 170.96 10.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.345 . . . . 0.0 110.85 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -50.3 -50.75 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.17 -48.11 44.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.518 ' CE2' HD13 ' A' ' 106' ' ' ILE . 49.8 t80 -39.01 -66.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -37.11 -36.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -60.44 -61.39 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.8 p -40.63 -30.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.518 HD13 ' CE2' ' A' ' 102' ' ' TYR . 4.6 mp -83.18 -44.24 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.89 -54.98 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 45.6 mt -37.78 -42.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.4 -58.35 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.2 t -48.99 -24.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.0 t -82.83 -44.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.434 ' CE2' HG22 ' A' ' 84' ' ' VAL . 10.5 t80 -60.1 -43.31 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -62.98 -60.68 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -54.62 -28.86 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.51 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -75.64 -54.53 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -58.51 -47.73 83.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.5 t -58.09 96.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -163.19 -146.9 4.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 92.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.27 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -100.38 138.15 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -120.78 164.61 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -121.51 149.83 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -100.98 125.25 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 79.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m 49.32 54.59 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 p -110.76 -41.19 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.35 168.93 18.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -139.15 152.99 70.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.6 Cg_endo -69.77 105.83 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' PRO . 27.1 m-20 -34.87 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.78 23.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -13.35 34.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -84.78 -40.86 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tt -77.92 -50.93 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.0 m -50.48 -51.36 47.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.14 -37.43 82.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -57.71 -51.23 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mtm -55.29 -49.45 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -58.73 -44.31 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -46.18 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.93 -65.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' VAL . 9.9 mm -51.53 -62.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 15.5 t70 -39.75 -50.18 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -60.19 -35.97 76.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.433 ' N ' ' O ' ' A' ' 22' ' ' ILE . 73.1 t -74.24 -70.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.529 HG12 ' CE2' ' A' ' 62' ' ' PHE . 82.2 mt -43.36 -43.73 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 77.4 m-20 -61.59 -41.32 97.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 29' ' ' LYS . 4.6 t80 -35.74 148.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 9.2 ptpp? -133.73 152.48 51.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -93.66 -67.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -92.19 64.67 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 39.47 38.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . 162.54 -44.62 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -53.57 86.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . 17.4 tt0 -67.66 94.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER -47.63 -48.69 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.501 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 80.7 p -40.49 -28.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' LEU . 13.1 mt-10 -41.97 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -55.35 -13.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 108' ' ' LEU . 89.6 m-85 -107.02 21.02 18.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.6 mm -93.89 -67.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.409 ' HG3' ' CD ' ' A' ' 63' ' ' LYS . 12.8 mt-30 -109.91 138.33 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 52' ' ' TYR . 19.3 mt -85.0 158.86 58.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 138.29 37.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.4 t -51.02 134.77 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.12 -47.76 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.38 -42.76 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -63.58 -52.82 59.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.499 HD22 ' CZ ' ' A' ' 94' ' ' PHE . 28.7 tp -134.39 82.24 46.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.2 8.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 10.5 pt-20 -52.6 -44.25 65.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' CE1' HD21 ' A' ' 43' ' ' LEU . 35.4 t80 -43.82 -40.76 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -80.42 -22.53 41.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 35.3 mt-10 -67.99 -62.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -48.24 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.38 134.01 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -77.36 -62.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -127.79 87.17 56.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.546 0.688 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.6 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 5.6 p -103.51 159.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.42 ' N ' ' CG2' ' A' ' 60' ' ' VAL . 9.0 m-20 -142.38 156.04 45.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.529 ' CE2' HG12 ' A' ' 26' ' ' ILE . 3.5 m-85 -43.37 -51.61 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.409 ' CD ' ' HG3' ' A' ' 42' ' ' GLN . 11.9 mtpp -45.37 -44.06 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.89 -50.99 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.27 -45.95 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' GLU . 9.0 mtpm? -72.3 -50.66 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' LYS . 33.5 tt0 -36.92 -34.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -72.73 -56.04 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -42.96 -41.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -77.46 -29.87 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -90.85 8.66 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 49.88 33.87 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -75.57 -44.68 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -52.6 147.67 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -94.92 -34.81 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 t -168.35 175.88 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -52.66 -58.19 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.1 -42.83 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.2 t0 -55.39 -59.75 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ASP . 59.3 tp -34.68 -54.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 30.3 tt0 -48.97 -54.15 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 48.0 mttt -35.87 -39.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.99 -58.72 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.5 HG11 ' CG ' ' A' ' 112' ' ' PHE . 91.3 t -39.95 -54.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.551 ' HE2' ' CD2' ' A' ' 112' ' ' PHE . 36.5 mmt -56.37 -38.49 71.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 86' ' ' LEU . 0.2 OUTLIER -60.24 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' C ' HD22 ' A' ' 87' ' ' LEU . 7.3 tt -47.08 -22.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.5 m -93.3 -30.72 15.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -68.68 -55.57 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -52.21 -26.0 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.466 ' NE2' HD12 ' A' ' 106' ' ' ILE . 2.3 mm100 -77.46 -8.25 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 m -82.71 -59.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.499 ' CZ ' HD22 ' A' ' 49' ' ' LEU . 2.2 t80 -71.01 -49.41 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' ND2' HG23 ' A' ' 101' ' ' ILE . 49.5 m-80 -79.58 164.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.36 170.98 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' SER . 19.1 mt-10 -60.96 168.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.36 26.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 47.1 t -94.28 143.01 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.7 tp-100 -35.22 -57.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.455 HG23 ' ND2' ' A' ' 95' ' ' ASN . 54.7 mt -65.21 -45.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 21.9 t80 -47.14 -57.84 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.77 -36.79 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -58.75 -34.14 71.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p -68.09 -52.67 32.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.466 HD12 ' NE2' ' A' ' 92' ' ' GLN . 4.6 mm -38.22 -48.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.479 HG12 ' CE1' ' A' ' 28' ' ' TYR . 80.9 t -61.23 -58.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 40' ' ' PHE . 79.3 mt -36.39 -54.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -56.75 -56.79 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -49.11 -35.78 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.433 HG22 ' CD2' ' A' ' 28' ' ' TYR . 87.8 t -77.71 -24.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.551 ' CD2' ' HE2' ' A' ' 85' ' ' MET . 62.9 t80 -76.29 -50.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -56.93 -57.02 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' SER . 14.5 t -59.32 -37.54 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.47 -29.22 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.425 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 65.9 mtm180 -84.1 -23.18 30.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.409 ' CD ' ' HA ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -132.18 40.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 2.4 t -80.43 86.76 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.13 7.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 176.39 6.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 94.6 p -57.47 179.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -51.9 119.66 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -160.8 123.08 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -102.88 161.87 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.27 -51.74 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -59.59 -59.39 5.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -138.8 164.35 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.96 178.36 34.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 p -146.95 143.79 18.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 135.14 29.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -49.6 144.39 9.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.74 26.53 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.15 32.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -84.56 -39.09 19.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.464 ' CD2' ' HE1' ' A' ' 18' ' ' MET . 6.3 tt -85.58 -52.66 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 m -49.63 -51.52 37.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -57.24 -49.09 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 18' ' ' MET . 24.2 tt0 -40.54 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.464 ' HE1' ' CD2' ' A' ' 14' ' ' LEU . 16.3 mtt -35.12 -71.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -43.7 -56.13 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -38.79 -47.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.458 ' CD1' HD13 ' A' ' 77' ' ' LEU . 34.0 mt -60.1 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.55 ' CG2' ' CD1' ' A' ' 26' ' ' ILE . 28.2 mm -58.82 -56.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' ILE . 35.9 t70 -34.39 -62.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.3 m -51.79 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ILE . 69.7 t -70.82 -73.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.562 HG12 ' CD2' ' A' ' 62' ' ' PHE . 76.4 mt -42.11 -34.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.0 m-80 -75.62 -43.83 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 13.7 t80 -37.13 151.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -134.19 158.91 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -89.75 -176.5 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -61.1 -19.55 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -92.47 5.33 51.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.09 16.92 35.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' LEU . 20.8 mtt85 -97.75 100.34 11.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -40.17 94.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -47.04 -45.15 21.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' PHE . 86.5 p -40.0 -28.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 19.5 mt-10 -40.29 -69.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.502 HG23 ' CD2' ' A' ' 40' ' ' PHE . 3.5 m -58.86 -13.4 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.502 ' CD2' HG23 ' A' ' 39' ' ' VAL . 61.2 m-85 -108.41 16.97 22.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 10.5 mm -80.41 -74.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 19.7 tp60 -130.29 114.59 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 13.1 mt -64.24 160.3 50.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.9 Cg_endo -69.79 145.72 57.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -56.01 167.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -79.74 -43.41 22.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -26.14 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.62 -52.41 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 51' ' ' GLU . 18.7 tp -121.57 69.86 24.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 7.7 pt-20 -38.11 -44.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CE1' HG13 ' A' ' 56' ' ' ILE . 42.5 t80 -52.64 -44.89 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' PRO . 64.2 m-85 -73.23 -9.05 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 5.3 mm-40 -82.46 -47.34 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.47 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -82.29 -34.14 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 52' ' ' TYR . 41.9 mm -74.76 137.66 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -84.29 -60.32 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.6 mttt -125.52 85.54 58.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.6 p -122.6 162.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' OD2' ' CG ' ' A' ' 43' ' ' LEU . 74.2 m-20 -147.86 177.18 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CD2' HG12 ' A' ' 26' ' ' ILE . 6.7 m-85 -60.1 -56.58 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -49.84 -25.73 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.75 -53.42 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 83.0 mt -51.51 -43.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -61.68 -56.08 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 10.6 tp10 -54.07 -24.15 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 9.7 tpt180 -78.9 -31.97 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 24.3 mt -77.23 -57.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -57.02 -14.93 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 2.7 m-80 -95.07 11.71 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 49.85 30.8 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -79.14 -17.63 54.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 68' ' ' ARG . 10.2 m-85 -89.64 155.4 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -113.81 -36.9 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -145.49 145.29 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 21' ' ' ILE . 18.7 tp -43.85 -52.51 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.94 -41.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' LEU . 14.6 t0 -54.7 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 53.8 tp -36.21 -49.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.7 tt0 -45.17 -60.08 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' GLU . 38.6 mmtt -35.48 -49.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -66.35 -54.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 99.2 t -45.07 -47.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.49 ' HE3' ' CD2' ' A' ' 112' ' ' PHE . 35.4 mmt -63.36 -36.91 85.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 25.7 tp -68.11 -49.54 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.422 ' C ' HD22 ' A' ' 87' ' ' LEU . 3.8 tt -45.77 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.22 -49.44 10.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -52.41 -51.18 60.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -43.82 -44.2 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.17 -59.87 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -45.88 -34.52 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -63.59 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -80.53 -57.06 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' A' ' 101' ' ' ILE . 48.4 m-80 -68.18 151.8 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.7 177.64 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 21.8 mt-10 -75.37 159.58 31.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.25 27.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -87.1 168.76 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -48.52 -59.34 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.46 HG22 ' ND2' ' A' ' 95' ' ' ASN . 31.3 mt -67.34 -39.21 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -41.94 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -40.51 -49.87 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -46.89 -45.15 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 p -57.74 -36.61 72.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.19 -29.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.429 ' O ' ' C ' ' A' ' 108' ' ' LEU . 58.0 t -73.05 -66.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 107' ' ' VAL . 35.2 mt -34.39 -49.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -56.25 -50.43 71.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' VAL . 35.0 m -55.99 -26.54 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.3 t -84.97 -41.04 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.49 ' CD2' ' HE3' ' A' ' 85' ' ' MET . 65.4 t80 -51.6 -51.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -54.34 -53.51 52.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -53.76 -44.13 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.86 -44.94 82.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -57.24 -37.27 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -81.99 -66.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.7 p -71.08 108.38 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.76 -133.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -49.02 147.91 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.9 m -95.23 84.2 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -102.51 -46.08 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -96.84 -56.77 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.34 170.9 43.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -90.14 95.6 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -165.26 140.87 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 50.51 0.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -55.67 139.08 69.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 109.62 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -41.45 149.19 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.59 27.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.228 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -83.38 -33.27 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 2.0 tm? -83.41 -59.5 2.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -43.06 -51.79 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.3 mmmt -61.08 -52.82 63.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' LYS . 50.7 tt0 -35.29 -53.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.468 ' HE2' ' CD1' ' A' ' 14' ' ' LEU . 17.9 mtm -61.55 -46.16 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.86 -55.17 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.45 -40.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.437 HG21 ' CE1' ' A' ' 112' ' ' PHE . 17.8 mt -71.61 -72.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 23' ' ' ASP . 13.1 mm -43.06 -54.25 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.0 t70 -35.31 -62.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -57.31 -54.12 50.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.54 -64.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.9 mt -57.95 -42.35 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -97.2 40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -97.05 136.91 36.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -90.14 132.27 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -94.96 -52.98 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -129.44 -68.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' GLY . 90.2 p -117.74 75.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 38.05 45.12 1.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -118.04 89.43 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -49.56 127.11 14.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -20.43 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 p -56.4 -13.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -49.1 -55.13 13.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -75.02 5.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -126.34 19.47 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 7.2 mm -87.32 -74.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -97.72 148.87 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -102.13 156.34 35.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.53 42.84 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 t -61.72 140.91 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' PRO . 62.1 mtm180 -56.05 -46.67 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -51.27 -54.27 27.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.28 -59.71 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.477 HD13 ' CG ' ' A' ' 51' ' ' GLU . 26.5 tp -117.81 70.88 7.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.75 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' CG ' HD13 ' A' ' 49' ' ' LEU . 2.3 pt-20 -39.95 -44.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.45 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 10.7 t80 -45.8 -42.32 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.975 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -73.29 -24.68 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' CD ' ' HA ' ' A' ' 51' ' ' GLU . 92.3 mt-10 -64.88 -61.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 57' ' ' ARG . 26.9 mm -78.49 143.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -111.27 -31.97 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' CB ' ' CD2' ' A' ' 86' ' ' LEU . 18.3 mmmt -121.01 67.94 16.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.383 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.9 p -99.83 158.78 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -136.71 163.93 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.17 -27.64 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CD ' ' O ' ' A' ' 41' ' ' ILE . 13.9 mtpt -66.86 -46.13 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -62.12 -53.79 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.3 mt -45.18 -57.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -53.27 -45.37 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.01 -46.66 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 17.3 mmt180 -53.16 -22.69 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.4 mt -81.12 -65.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.26 -22.53 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 33.2 m-20 -92.54 16.75 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 11.3 m-70 35.97 31.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -72.54 -56.02 6.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 10.8 m-85 -45.62 159.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 1.3 mpp_? -105.07 -29.96 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -165.03 163.19 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 22.8 tp -45.28 -42.88 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.12 -57.7 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.545 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.6 m-20 -41.47 -62.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.2 tp -35.73 -57.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.3 tt0 -45.04 -66.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' GLU . 20.3 mtpp -35.94 -48.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.89 -53.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.87 -63.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mmt -48.28 -36.26 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' CB ' ' A' ' 58' ' ' LYS . 16.1 tp -67.21 -52.19 44.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.6 tt -50.06 -27.41 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.88 -24.76 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -74.04 -51.51 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -16.94 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.89 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 m -63.23 -36.53 83.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -94.17 -55.21 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -66.48 153.44 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.23 166.59 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 35.5 mt-10 -72.57 159.52 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.08 27.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.8 t -88.16 169.92 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -51.25 -54.31 27.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 97.1 mt -71.35 -33.43 50.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.536 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 49.6 t80 -45.59 -68.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.88 -42.79 69.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -47.45 -37.74 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.4 p -72.66 -45.45 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.36 -30.85 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' LEU . 21.7 t -67.14 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' VAL . 33.0 mt -34.44 -39.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.44 -58.01 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.6 -26.94 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.1 t -79.78 -38.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.126 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.437 ' CE1' HG21 ' A' ' 21' ' ' ILE . 48.5 t80 -64.44 -58.35 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -46.0 -47.49 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -71.56 -38.88 70.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.62 -30.72 5.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 -74.07 -54.45 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -74.52 4.67 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.4 t -100.96 150.9 22.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.42 157.84 26.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.87 34.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 t -107.66 138.26 44.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.2 m -109.46 113.73 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -133.85 141.43 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -128.2 99.01 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.6 151.59 1.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -109.83 118.52 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -122.61 107.09 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.73 61.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -158.98 144.02 11.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.59 16.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.41 158.49 51.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.39 38.47 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -19.59 36.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.3 -52.16 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.63 -49.08 57.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 92.7 m -54.62 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -37.64 -62.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' LYS . 5.7 tt0 -34.25 -61.27 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt -41.7 -71.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.504 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -47.63 -41.65 22.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.46 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.461 ' CG2' ' CD2' ' A' ' 112' ' ' PHE . 43.6 mt -77.72 -62.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' ' 26' ' ' ILE . 13.1 mm -50.9 -57.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.82 -28.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -84.3 -29.97 25.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ILE . 89.6 t -79.9 -50.64 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' ' 22' ' ' ILE . 98.9 mt -61.97 -40.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.515 HD21 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -66.93 -37.19 83.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -42.91 151.89 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -133.16 147.45 52.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -67.71 173.75 4.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -44.39 -68.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -47.36 -49.0 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.96 -13.27 3.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 41.1 mtm180 -65.56 126.44 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.413 ' HB3' ' CD ' ' A' ' 38' ' ' GLU . 60.4 tt0 -58.16 148.78 25.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 38' ' ' GLU . 6.0 mp -96.33 -59.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 43.5 p -40.61 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 43.6 mt-10 -43.83 -63.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.669 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -66.2 -6.07 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.669 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 60.0 m-85 -114.17 21.17 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 mm -87.56 -69.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 14.0 tm0? -102.1 150.38 23.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 25.6 mt -104.67 158.23 32.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.8 Cg_endo -69.75 111.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' PRO . 59.1 m -36.49 126.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -43.75 -45.8 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -52.44 -52.69 52.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.98 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 18.9 tp -119.97 83.37 30.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.18 11.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.496 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 11.3 pt-20 -54.78 -35.62 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -52.78 -35.41 56.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -87.43 -14.8 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.41 -55.24 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -74.77 -41.36 60.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.416 HG21 ' CD ' ' A' ' 59' ' ' PRO . 49.3 mm -72.88 125.1 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.29 -58.93 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -134.09 84.24 43.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.416 ' CD ' HG21 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.77 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 7.4 p -93.9 158.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' N ' ' CG2' ' A' ' 60' ' ' VAL . 4.4 p-10 -136.66 171.34 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.25 -37.61 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -64.27 -21.74 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.46 -52.11 5.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.0 -52.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -62.61 -28.82 70.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.14 -21.12 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -86.6 -45.04 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.9 mt -51.05 -46.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -71.92 -22.2 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -94.0 15.64 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER 39.57 38.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -56.2 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 9.4 m-85 -46.11 171.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.57 -15.91 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -173.76 168.2 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.3 tt -53.5 -44.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.06 -55.97 4.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.492 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.2 m-20 -48.46 -41.91 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 82' ' ' LYS . 8.4 tm-20 -67.76 -60.93 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.0 mtpt -39.12 -45.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.09 -63.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.3 t -40.11 -57.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.541 ' HE2' ' CD1' ' A' ' 112' ' ' PHE . 35.6 mmt -53.08 -42.98 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' HIS . 8.6 tp -59.62 -59.04 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.408 ' C ' HD22 ' A' ' 87' ' ' LEU . 2.8 tt -43.23 -25.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.56 -29.28 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' LEU . 6.8 t60 -75.4 -51.95 11.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -15.46 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.7 -52.83 11.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.468 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 47.9 mt-30 -61.72 -33.21 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 m -57.71 -44.92 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.438 ' CE2' HD22 ' A' ' 49' ' ' LEU . 2.0 t80 -89.72 -59.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -60.29 145.02 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.03 176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . 17.0 mt-10 -98.91 166.26 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.6 31.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 p -100.03 -174.81 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -62.2 -61.83 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 104' ' ' ASP . 46.0 mt -59.69 -58.33 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 7.1 t80 -34.31 -52.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -58.16 -44.03 87.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 101' ' ' ILE . 10.3 t0 -52.54 -47.59 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -51.22 -41.95 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.444 HD12 ' CE1' ' A' ' 102' ' ' TYR . 2.7 mp -65.42 -48.63 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 108' ' ' LEU . 91.3 t -50.99 -62.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 107' ' ' VAL . 34.0 mt -36.1 -49.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.27 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 t -45.8 -27.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.22 -44.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.541 ' CD1' ' HE2' ' A' ' 85' ' ' MET . 7.2 t80 -59.43 -58.45 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -46.36 -59.31 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -58.08 -16.66 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -82.32 -62.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.402 ' CB ' HD13 ' A' ' 21' ' ' ILE . 12.2 ptm180 -55.64 -21.39 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -92.1 -37.68 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.8 t -76.76 98.52 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.07 131.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 176.12 7.24 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 p -133.95 -46.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 86.28 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -100.35 124.03 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -91.97 -49.5 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 121.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -86.64 -39.1 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -132.98 109.6 9.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.46 -55.58 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.8 p -93.71 140.03 22.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.71 31.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -42.46 152.72 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.4 34.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.64 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -49.98 -32.77 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -79.65 -56.16 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -48.96 -55.64 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -60.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -43.24 -46.54 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.6 mtm -61.3 -46.03 91.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -59.82 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.43 -57.88 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.55 -70.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' VAL . 8.3 mm -46.64 -65.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 22' ' ' ILE . 4.5 t70 -34.6 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' ILE . 52.9 m -78.37 -44.27 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ILE . 99.6 t -61.73 -58.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.467 HD13 ' CG2' ' A' ' 22' ' ' ILE . 86.2 mt -55.56 -49.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' TYR . 93.5 m-20 -59.95 -45.68 91.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.484 ' CG ' HG22 ' A' ' 111' ' ' VAL . 31.9 t80 -37.12 141.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -133.02 158.86 41.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -70.23 -175.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -78.28 46.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.55 -53.92 0.66 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.58 118.52 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -76.9 170.21 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' GLU . 5.5 mp -96.58 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.7 p -42.35 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . 31.4 mt-10 -42.99 -61.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.65 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.6 m -65.49 -12.26 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -105.4 20.38 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.414 ' CG2' ' HD3' ' A' ' 63' ' ' LYS . 17.2 mm -91.18 -74.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.5 128.79 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.37 155.98 41.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' PRO . 6.7 t -34.76 145.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' SER . 18.4 mmm-85 -37.08 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -66.16 -47.86 72.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' SER . 6.8 mm-40 -56.72 -50.09 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.4 tp -164.58 105.01 0.84 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.628 0.727 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 -31.46 20.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 1.1 tt0 -36.81 -63.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' GLU . 27.5 t80 -36.19 -55.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.38 -35.35 80.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.1 mt-10 -55.33 -54.45 43.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.03 -49.39 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.7 140.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -90.84 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.14 80.32 11.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.13 9.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.6 p -129.3 159.61 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -141.82 169.24 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CD1' HG12 ' A' ' 26' ' ' ILE . 17.6 m-85 -56.79 -34.45 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HD3' ' CG2' ' A' ' 41' ' ' ILE . 19.1 mmmt -60.15 -45.51 92.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -50.88 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.2 mt -46.1 -58.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.3 mtpt -58.61 -48.89 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 17.8 tt0 -42.61 -34.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -72.5 -48.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.66 -31.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 9.0 ptp180 -88.03 -39.16 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -80.04 11.83 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 49.15 47.0 22.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -92.09 -46.25 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.41 123.81 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.35 -37.79 56.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 5.3 t -164.04 -175.05 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.79 -45.67 85.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.13 -59.78 1.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -54.79 -56.51 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.4 tp -38.52 -48.17 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.3 -52.19 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -42.82 -41.78 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.08 -60.52 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 HG13 ' CD2' ' A' ' 112' ' ' PHE . 91.4 t -41.01 -45.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.1 mmt -70.28 -45.91 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -53.7 -36.86 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' C ' HD21 ' A' ' 87' ' ' LEU . 5.3 tt -65.58 -42.85 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.67 -51.31 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -50.64 -54.17 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -53.05 -37.2 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.73 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 63.9 mt-30 -61.52 -39.09 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -51.61 -41.56 61.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -94.06 -59.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.423 ' CG ' HG22 ' A' ' 101' ' ' ILE . 59.8 m-80 -59.06 120.66 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.07 160.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 8.7 mp0 -75.95 160.14 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.17 26.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -87.98 -176.26 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.24 -55.72 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.423 HG22 ' CG ' ' A' ' 95' ' ' ASN . 86.4 mt -69.38 -39.9 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.519 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 58.5 t80 -37.94 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 106' ' ' ILE . 48.8 mt-10 -42.55 -58.8 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.448 ' OD1' ' C ' ' A' ' 104' ' ' ASP . 4.1 t0 -39.62 -43.15 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 p -61.77 -42.95 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.479 HD12 ' CE2' ' A' ' 102' ' ' TYR . 3.0 mp -66.47 -43.38 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' LEU . 19.5 t -56.54 -59.84 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 107' ' ' VAL . 46.2 mt -34.24 -54.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -60.63 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.0 t -43.37 -37.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG22 ' CG ' ' A' ' 28' ' ' TYR . 63.2 t -69.12 -40.9 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.481 ' CD1' ' C ' ' A' ' 112' ' ' PHE . 1.6 t80 -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -61.1 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -62.79 -44.21 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.46 -43.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.17 -54.35 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -75.98 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.0 t -65.76 114.17 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.19 -160.52 8.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.45 14.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -172.15 132.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.0 p -57.57 91.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -52.5 158.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -132.42 149.2 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.93 74.22 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 p -52.62 130.99 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -64.44 155.65 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.94 98.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.7 p -93.95 144.01 27.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.16 12.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.22 143.11 98.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.52 24.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -12.87 33.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -87.65 -35.54 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CD1' ' HE2' ' A' ' 18' ' ' MET . 1.8 tm? -81.7 -54.07 5.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 m -43.55 -53.64 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 35.2 tttm -57.35 -52.85 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' LYS . 49.3 tt0 -35.08 -57.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.455 ' HE2' ' CD1' ' A' ' 14' ' ' LEU . 8.4 mtm -56.74 -46.38 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.13 -49.24 76.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -41.76 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.438 HG23 ' CE1' ' A' ' 112' ' ' PHE . 28.1 mt -68.79 -67.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 23' ' ' ASP . 10.8 mm -50.53 -59.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.0 t70 -35.78 -54.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.6 m -58.3 -62.04 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.6 t -48.54 -69.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 mt -44.08 -47.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.481 HD21 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -58.79 -40.75 84.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.545 ' CD2' HG22 ' A' ' 111' ' ' VAL . 44.1 t80 -34.33 135.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -126.84 141.19 51.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.08 -45.49 23.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -109.91 36.68 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m 44.78 40.98 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.12 -41.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.59 125.57 53.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.37 118.98 26.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -28.98 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 p -56.14 -20.2 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -46.61 -59.97 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.2 m -57.38 -12.75 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 50.8 m-85 -105.86 -15.18 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.427 HG22 ' NE2' ' A' ' 42' ' ' GLN . 21.9 mm -53.12 -62.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.427 ' NE2' HG22 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -129.66 148.21 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.423 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -130.62 164.08 44.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.69 119.82 6.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.1 m -57.89 177.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HG2' ' CD2' ' A' ' 53' ' ' TYR . 42.7 mtt-85 -52.91 -42.51 65.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.08 -56.34 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -58.46 -61.41 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 7.2 tp -125.44 94.28 43.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 53.4 Cg_endo -69.82 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 5.0 pt-20 -42.27 -42.33 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -53.85 -40.77 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.47 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 27.5 m-85 -81.47 -2.2 48.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.86 -52.04 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' CD2' ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -80.57 -35.98 33.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.7 mm -79.17 139.38 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -44.61 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 84.5 mttt -133.06 83.41 51.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.64 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.09 165.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -146.56 155.57 42.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -48.83 -38.92 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 13.6 mtpp -54.59 -45.11 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -73.15 -46.58 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -49.96 -40.17 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -79.23 -38.75 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.9 tm-20 -49.65 -68.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HG3' ' CE2' ' A' ' 74' ' ' TYR . 6.1 ptm180 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt -44.98 -46.52 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.96 -21.38 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' HIS . 9.1 m-80 -101.64 21.91 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 71' ' ' ASN . 3.4 m-70 35.21 42.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -82.6 -48.92 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.47 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 3.0 m-85 -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -112.73 -32.36 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 t -166.32 168.99 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 80' ' ' LEU . 63.8 tp -57.11 -57.92 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . . . -38.09 -30.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' LEU . 59.8 m-20 -70.09 -46.38 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 77' ' ' LEU . 27.4 tp -50.79 -32.4 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' LYS . 36.3 tt0 -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.6 mtmt -36.03 -63.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.1 p-10 -55.57 -60.92 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.416 HG12 ' CE ' ' A' ' 85' ' ' MET . 74.5 t -38.95 -51.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.416 ' CE ' HG12 ' A' ' 84' ' ' VAL . 34.9 mmt -63.59 -36.16 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 58' ' ' LYS . 14.3 tp -67.99 -59.99 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 88' ' ' CYS . 1.4 tt -37.33 -44.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . 0.445 ' N ' HD22 ' A' ' 87' ' ' LEU . 60.0 m -71.87 -43.9 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' GLN . 6.4 t-80 -58.2 -56.21 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' HIS . 91.1 m-20 -37.2 -41.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.46 -47.36 82.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' HIS . 76.8 mt-30 -57.98 -13.93 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.4 m -96.86 -33.93 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -93.16 -57.12 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.421 ' CG ' HG21 ' A' ' 101' ' ' ILE . 13.3 m-80 -64.06 135.96 56.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.434 HD11 ' N ' ' A' ' 97' ' ' GLU . 0.5 OUTLIER -58.17 150.61 21.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.8 mt-10 -66.96 175.69 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.77 28.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.0 t -100.36 175.57 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -66.09 -49.76 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 104' ' ' ASP . 38.0 mt -67.76 -62.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 102' ' ' TYR . 3.3 t80 -39.22 -44.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -68.56 -37.13 79.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.542 ' OD1' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -56.85 -40.33 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.7 p -59.07 -37.97 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.2 mp -61.93 -24.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' LEU . 94.4 t -83.51 -61.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.6 mt -35.44 -43.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.78 -52.55 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -30.58 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.545 HG22 ' CD2' ' A' ' 28' ' ' TYR . 43.2 t -80.54 -32.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.438 ' CE1' HG23 ' A' ' 21' ' ' ILE . 40.7 t80 -68.47 -58.9 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -48.16 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -68.2 -38.65 82.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.59 -45.28 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -41.26 -57.82 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -77.85 -59.6 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -55.78 114.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -118.94 146.27 18.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.48 26.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.4 p -81.58 81.35 7.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 m -39.53 -46.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -78.26 93.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -103.68 83.81 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.99 143.88 15.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -95.8 142.74 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -141.04 138.21 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.56 47.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -133.82 129.5 20.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.719 0.771 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.2 Cg_endo -69.77 125.93 12.71 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PRO . 3.5 m-20 -35.59 146.44 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 165.9 29.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -46.12 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -56.73 -21.38 27.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.14 -55.11 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.9 m -52.04 -49.88 62.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -50.11 -60.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -40.63 -46.62 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 mtt -61.04 -49.03 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 25.9 m-20 -62.81 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.33 -53.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -56.66 -64.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 26' ' ' ILE . 19.2 mm -52.09 -67.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -36.46 -32.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ILE . 94.1 m -81.4 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.17 -47.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 22' ' ' ILE . 74.4 mt -66.74 -46.13 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 1.3 t80 -103.39 133.48 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -111.15 139.02 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.7 -175.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -70.91 -26.04 63.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -72.48 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.21 48.21 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -148.14 164.5 33.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -85.72 143.55 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -109.68 -11.54 14.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -92.4 -31.4 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.416 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 23.9 mt-10 -42.89 -51.63 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG22 ' CD1' ' A' ' 40' ' ' PHE . 3.4 m -54.88 -30.58 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.564 ' CD1' HG22 ' A' ' 39' ' ' VAL . 80.9 m-85 -91.48 -22.72 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.416 ' CG1' ' HA ' ' A' ' 38' ' ' GLU . 26.7 mm -49.59 -49.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -127.5 109.29 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.425 ' HB2' ' HD2' ' A' ' 44' ' ' PRO . 0.2 OUTLIER -102.17 164.43 15.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.77 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 m -62.45 -177.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -61.34 -47.04 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.42 -54.84 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.18 -54.14 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 23.5 tp -132.84 85.88 45.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -33.0 17.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.0 pt-20 -62.81 -28.82 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.568 ' CE1' HG13 ' A' ' 56' ' ' ILE . 87.3 t80 -61.82 -33.05 73.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 9.0 m-85 -83.42 -14.41 52.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -72.6 -45.79 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.516 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -88.1 -42.39 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.568 HG13 ' CE1' ' A' ' 52' ' ' TYR . 48.9 mm -69.9 112.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -49.66 -67.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -131.09 93.49 30.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.4 Cg_endo -69.83 110.07 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.456 ' CG2' ' N ' ' A' ' 61' ' ' ASP . 7.6 p -118.84 162.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.456 ' N ' ' CG2' ' A' ' 60' ' ' VAL . 4.8 p-10 -129.53 -177.49 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -81.6 -27.21 34.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -70.61 -26.1 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -83.92 -51.64 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 28.1 mt -43.07 -36.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.17 -35.68 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.24 -33.53 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -78.26 -36.21 47.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.67 -46.99 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -76.0 -24.04 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -93.92 18.04 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 41.36 34.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -77.38 -44.11 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.38 146.66 39.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -102.26 -23.65 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 p -167.2 175.01 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.73 -42.47 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.82 4.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LEU . 8.1 t0 -61.69 -61.46 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 33.3 tp -36.28 -33.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 79' ' ' ASP . 15.9 tt0 -65.51 -57.77 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -40.72 -52.44 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.16 -70.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 80.1 t -38.29 -57.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.5 mmt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' LEU . 12.7 tp -61.63 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 40' ' ' PHE . 5.4 tt -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.51 -41.92 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -55.33 -34.54 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -64.29 -43.21 95.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -53.66 -57.68 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -50.27 -22.07 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.5 m -81.05 -56.44 4.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.516 ' CD2' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -74.85 -54.4 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -65.05 157.68 27.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -84.18 165.14 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' SER . 17.4 mt-10 -65.77 161.84 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.55 31.66 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 42.0 t -93.6 159.4 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.336 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -41.5 -59.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.1 mt -66.61 -27.91 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.551 ' CE2' HD11 ' A' ' 106' ' ' ILE . 21.6 t80 -61.0 -67.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -42.65 -34.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -66.19 -45.0 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -56.19 -41.33 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.551 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -69.45 -33.67 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.411 ' O ' ' C ' ' A' ' 108' ' ' LEU . 91.3 t -71.27 -62.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' VAL . 11.2 mt -36.72 -51.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.07 -53.86 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.1 t -52.42 -32.27 38.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 28' ' ' TYR . 12.4 t -75.48 -32.35 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -65.24 -49.3 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -67.1 -45.32 77.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.0 t -58.89 -31.89 69.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.93 -39.07 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 118' ' ' SER . 5.1 pt20 -57.21 -46.29 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 117' ' ' GLN . 36.4 t -38.46 108.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 139.38 -172.09 23.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 163.59 37.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.3 t -38.82 147.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.5 p -131.66 45.07 2.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 167.51 24.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.96 32.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -75.7 -35.37 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.696 HD21 ' HE2' ' A' ' 18' ' ' MET . 8.0 tt -81.96 -59.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 14' ' ' LEU . 39.4 m -46.75 -49.75 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -53.82 -50.01 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -48.09 -52.46 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.696 ' HE2' HD21 ' A' ' 14' ' ' LEU . 6.7 mtt -54.96 -52.99 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -54.01 -57.34 11.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.01 -61.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.738 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 71.9 mt -47.49 -73.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 25' ' ' VAL . 17.2 mm -48.35 -65.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 37.7 t70 -35.59 -35.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ILE . 71.0 m -82.57 -42.56 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ILE . 50.4 t -63.43 -50.23 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 22' ' ' ILE . 89.9 mt -65.9 -32.77 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 97.6 m-20 -83.07 -23.25 33.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.4 t80 -54.4 134.91 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD23 ' CG ' ' A' ' 104' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -49.52 -19.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -52.03 -50.87 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG21 HD12 ' A' ' 101' ' ' ILE . 2.5 m -75.69 3.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 108' ' ' LEU . 97.0 m-85 -120.57 14.25 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.604 HG22 ' HG3' ' A' ' 42' ' ' GLN . 34.6 mm -82.83 -69.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.604 ' HG3' HG22 ' A' ' 41' ' ' ILE . 9.8 mt-30 -107.67 153.75 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 14.2 mt -113.47 159.05 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.77 144.25 53.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -62.41 172.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -79.92 -26.73 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -77.05 -54.95 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.62 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 56.9 tp -124.51 81.73 59.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.84 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 3.2 pt-20 -40.67 -40.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' HG13 ' A' ' 56' ' ' ILE . 64.0 t80 -48.46 -44.14 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 46' ' ' ARG . 95.2 m-85 -77.54 -15.71 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 53.0 mm-40 -74.04 -49.11 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -82.04 -48.21 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.452 HG13 ' CE1' ' A' ' 52' ' ' TYR . 6.0 mm -65.55 132.94 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -76.64 -62.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -127.22 82.58 67.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.3 p -92.69 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' HG22 ' A' ' 60' ' ' VAL . 1.8 p-10 -123.47 -175.22 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' HA ' HD12 ' A' ' 65' ' ' ILE . 3.5 m-85 -84.1 -39.3 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' NZ ' ' HG2' ' A' ' 42' ' ' GLN . 19.5 mtmt -57.63 -31.82 66.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -77.39 -46.69 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 62' ' ' PHE . 38.5 mt -53.8 -40.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -74.4 -40.88 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.23 -28.48 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -72.12 -45.76 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.1 mt -55.52 -39.45 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -80.9 -12.02 59.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -101.26 12.8 36.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 50.58 30.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -74.83 -66.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -50.2 128.74 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -84.3 -43.19 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.4 t -138.61 167.11 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.3 tp -52.88 -47.83 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.59 -52.71 3.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.18 -45.82 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 84' ' ' VAL . 29.7 tp -57.0 -41.51 78.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.85 -42.18 98.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -44.84 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.3 m-20 -77.78 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.585 HG12 ' HE2' ' A' ' 85' ' ' MET . 93.0 t -36.82 -54.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.585 ' HE2' HG12 ' A' ' 84' ' ' VAL . 39.0 mmt -62.33 -33.91 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -67.04 -53.26 32.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.573 HD23 ' C ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -50.58 -30.87 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.66 -55.56 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -48.14 -50.07 30.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.61 -40.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 94' ' ' PHE . . . -66.04 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -42.94 -24.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 91' ' ' ALA . 62.5 m -81.79 -39.87 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.5 t80 -86.33 -57.16 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.719 ' OD1' HG21 ' A' ' 101' ' ' ILE . 11.4 m120 -69.5 132.35 46.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.17 162.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 26.7 mt-10 -70.1 169.3 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.12 32.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -97.44 -177.0 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -50.35 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.719 HG21 ' OD1' ' A' ' 95' ' ' ASN . 11.5 mm -74.19 -27.85 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.629 ' CE2' HD11 ' A' ' 106' ' ' ILE . 54.2 t80 -58.29 -72.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.567 ' HA ' HD13 ' A' ' 106' ' ' ILE . 44.1 mt-10 -36.22 -51.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.434 ' CG ' HD23 ' A' ' 36' ' ' LEU . 6.2 m-20 -45.31 -57.38 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -44.09 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 106' ' ' ILE . 5.3 mp -58.47 -40.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.46 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 40' ' ' PHE . 29.5 mt -40.13 -38.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -64.64 -52.05 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -54.16 -34.32 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.445 HG21 ' CG ' ' A' ' 28' ' ' TYR . 12.4 t -73.44 -38.24 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 21' ' ' ILE . 87.5 t80 -57.08 -58.34 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -56.73 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -49.3 -50.61 38.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -45.19 -54.78 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ALA . 4.9 mtp-105 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.68 20.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -17.6 37.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -86.4 -33.68 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' A' ' 18' ' ' MET . 2.6 tm? -85.37 -56.17 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.2 m -48.18 -53.68 16.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLN . 39.8 mmtt -52.79 -46.42 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 21.7 tt0 -37.68 -61.0 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.538 ' HG3' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -48.02 -52.25 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -56.83 -58.06 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.22 -45.14 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 77' ' ' LEU . 77.4 mt -66.91 -72.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' HD12 ' A' ' 26' ' ' ILE . 13.1 mm -44.18 -58.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.1 m-20 -34.65 -55.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -55.36 24.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 89.8 t -47.54 -59.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.618 HD12 ' CG2' ' A' ' 22' ' ' ILE . 97.0 mt -61.31 -41.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -96.9 41.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.71 143.76 32.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -61.32 -9.17 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.43 -44.06 62.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.7 m -83.37 -0.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -113.67 3.41 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.608 HG22 ' HG3' ' A' ' 42' ' ' GLN . 4.9 mm -74.7 -74.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 41' ' ' ILE . 15.8 mt-30 -99.42 131.96 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.6 mt -91.3 157.46 42.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.78 126.97 13.91 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -58.79 159.3 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -66.27 -48.04 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -56.1 -42.0 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -71.01 -56.75 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -133.33 80.88 57.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -33.92 15.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 4.9 pt-20 -50.02 -36.41 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.584 ' CE1' HG13 ' A' ' 56' ' ' ILE . 76.2 t80 -59.49 -37.33 77.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -74.41 -16.63 60.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.55 -54.09 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.724 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -73.85 -47.13 40.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.584 HG13 ' CE1' ' A' ' 52' ' ' TYR . 4.5 mm -67.71 155.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' N ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -113.17 -45.36 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.743 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.8 mtmm -127.19 81.72 69.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.08 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.1 p -101.12 159.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 60' ' ' VAL . 2.9 m-20 -125.99 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.5 -18.07 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -82.43 -31.76 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -70.9 -48.54 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.02 -47.39 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.613 ' HA ' HD12 ' A' ' 69' ' ' ILE . 50.6 mtmt -68.32 -46.34 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 45.4 tt0 -39.5 -26.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' LYS . 1.3 mpt_? -86.95 -45.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 66' ' ' LYS . 66.6 mt -49.84 -51.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -71.31 -19.66 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 84.8 m-20 -99.12 7.27 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 45.44 50.47 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -93.69 -27.08 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -77.43 131.28 37.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.5 -38.23 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.9 m -153.42 164.62 37.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD11 HD12 ' A' ' 21' ' ' ILE . 13.5 tp -56.55 -42.33 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.86 -25.78 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.97 -53.51 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 84' ' ' VAL . 26.1 tp -39.73 -44.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.9 tt0 -54.94 -60.91 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' GLU . 31.9 mttm -35.93 -40.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.46 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 80' ' ' LEU . 15.0 t -44.33 -57.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.7 mmt -54.22 -37.79 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 58' ' ' LYS . 18.0 tp -63.37 -51.82 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 87' ' ' LEU . 2.8 tt -51.6 -30.58 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.19 -38.6 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -62.93 -42.82 99.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -51.16 -38.45 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.99 -26.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 m -75.85 -37.58 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.724 ' CD2' HD11 ' A' ' 55' ' ' LEU . 3.3 t80 -91.06 -57.82 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' HD12 ' A' ' 101' ' ' ILE . 14.9 m-80 -62.21 143.13 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 96' ' ' LEU . 3.9 mm? -64.77 166.29 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 25.3 mt-10 -71.58 162.89 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.26 33.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -95.42 168.18 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -46.66 -61.89 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.451 HD12 ' OD1' ' A' ' 95' ' ' ASN . 43.4 mt -64.88 -42.79 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.729 ' O ' HD12 ' A' ' 106' ' ' ILE . 18.6 t80 -42.73 -66.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 107' ' ' VAL . 23.4 mt-10 -40.1 -45.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -55.92 -57.57 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.6 p -43.26 -42.62 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 102' ' ' TYR . 5.2 mp -68.32 -44.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.8 t -57.7 -60.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.1 mt -35.61 -49.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.35 -62.59 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.403 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 39.9 t -46.1 -32.55 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.44 -42.33 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.617 ' CE1' HG21 ' A' ' 21' ' ' ILE . 60.7 t80 -52.54 -58.38 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 110' ' ' SER . 40.1 mtmt -52.93 -52.77 56.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -53.96 -33.03 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -78.96 -15.82 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.26 28.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.53 26.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -53.54 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.515 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 8.0 tt -66.79 -50.49 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -52.48 -56.02 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -48.51 -48.48 38.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -44.92 -52.73 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.515 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 40.1 mtt -49.59 -51.18 39.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -57.96 -52.52 65.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -47.37 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.612 ' CD1' HD11 ' A' ' 77' ' ' LEU . 61.2 mt -63.4 -67.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CG2' HD12 ' A' ' 26' ' ' ILE . 9.9 mm -48.08 -62.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 4.5 t70 -37.08 -59.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -34.47 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ILE . 47.7 t -70.21 -65.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 ' CG2' ' A' ' 22' ' ' ILE . 97.1 mt -55.58 -43.2 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 2.3 m-20 -63.46 -36.48 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.62 149.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 pttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' HB2' HD21 ' A' ' 108' ' ' LEU . 2.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 p -44.56 -22.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 9.4 mm-40 -47.21 -48.6 23.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.477 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 12.6 m -81.74 -5.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 58.2 m-85 -115.29 13.18 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG22 ' HG3' ' A' ' 42' ' ' GLN . 24.2 mm -65.59 -75.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HG3' HG22 ' A' ' 41' ' ' ILE . 66.9 mt-30 -106.12 165.57 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.25 155.77 40.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.4 54.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' GLU . 43.5 m -73.1 122.92 22.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' SER . 20.1 ttp180 -36.31 -55.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.58 -42.57 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' SER . 31.6 mm-40 -67.86 -59.13 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 39.4 tp -129.44 77.04 78.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' GLU . 5.9 pt-20 -41.22 -49.36 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 56' ' ' ILE . 25.1 t80 -36.92 -44.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 59' ' ' PRO . 81.0 m-85 -70.12 -38.72 75.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' GLU . 7.1 mm-40 -48.38 -51.3 27.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -77.27 -48.77 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 52' ' ' TYR . 31.6 mm -69.59 117.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -67.24 -68.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG3' HD21 ' A' ' 86' ' ' LEU . 16.3 pttm -117.02 89.13 28.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 54.0 Cg_endo -69.77 151.22 68.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 87' ' ' LEU . 8.4 p -158.06 153.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' O ' HD12 ' A' ' 65' ' ' ILE . 4.6 p-10 -131.4 -175.22 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -74.37 -41.65 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -49.38 -50.83 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 61' ' ' ASP . 34.9 mt -47.86 -48.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.1 mtpp -65.45 -31.18 72.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -59.44 -53.06 62.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 38.8 mtp85 -47.19 -43.81 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -57.84 -57.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -64.77 -18.12 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' HIS . 35.3 m-20 -99.35 18.97 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' ASN . 82.6 m-70 36.08 40.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -91.05 -38.25 12.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 6.4 m-85 -57.96 110.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -55.31 -40.25 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -163.88 163.01 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.612 HD11 ' CD1' ' A' ' 21' ' ' ILE . 12.2 tp -49.23 -44.69 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.23 -49.44 6.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 m-20 -54.43 -54.28 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 50.6 tp -35.02 -50.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -51.67 -55.93 16.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -42.59 -46.87 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.18 -64.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.629 HG11 ' CD2' ' A' ' 112' ' ' PHE . 86.1 t -41.77 -56.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mmt -55.45 -39.73 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD21 ' HG3' ' A' ' 58' ' ' LYS . 26.3 tp -63.45 -42.17 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.496 ' HB2' HG13 ' A' ' 60' ' ' VAL . 3.0 tt -55.63 -41.75 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 45.2 m -68.57 -52.15 34.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ASN . 20.9 t60 -45.1 -54.47 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' HIS . 87.6 m-20 -37.88 -45.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.85 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -43.73 -29.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -78.75 -47.83 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 1.7 t80 -70.48 -55.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.32 164.39 22.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -88.87 -179.0 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 10.7 mt-10 -73.0 164.2 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.93 31.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.4 t -92.92 167.7 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -49.19 -59.83 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -70.63 -37.54 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 22.3 t80 -42.36 -69.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -39.4 -51.68 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.09 -54.3 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 p -51.83 -44.0 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.509 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.1 mp -62.73 -48.44 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.2 t -57.31 -60.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 36' ' ' LEU . 90.9 mt -34.61 -48.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.36 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 t -45.47 -36.85 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.9 t -68.57 -51.14 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.629 ' CD2' HG11 ' A' ' 84' ' ' VAL . 32.2 t80 -42.93 -62.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -42.88 -62.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -44.02 -42.58 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -62.74 -58.96 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.83 20.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.4 20.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.19 -56.89 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -47.81 -57.24 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -49.41 -59.84 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -44.63 -50.7 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.6 mtm -54.47 -59.59 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -53.26 -57.92 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.83 -39.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 25' ' ' VAL . 52.7 mt -71.18 -56.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.453 HG21 ' HG2' ' A' ' 66' ' ' LYS . 8.8 mm -63.45 -61.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.7 t70 -34.38 -45.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.8 m -67.74 -57.31 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 21' ' ' ILE . 97.3 t -46.38 -59.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.608 HG23 ' OG ' ' A' ' 37' ' ' SER . 96.4 mt -59.1 -39.58 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 75.1 m-20 -98.75 40.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 3.4 t80 -109.6 140.24 43.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 104' ' ' ASP . 7.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.608 ' OG ' HG23 ' A' ' 26' ' ' ILE . 53.3 p -47.47 -20.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -43.24 -63.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -66.36 -8.33 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 49.8 m-85 -117.89 21.13 13.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG22 ' HD2' ' A' ' 63' ' ' LYS . 14.7 mm -68.93 -74.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' N ' HG22 ' A' ' 41' ' ' ILE . 8.7 pt20 -112.83 176.78 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.7 mt -129.37 157.02 77.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -41.74 147.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -60.53 -52.3 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.34 -59.6 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 26.6 tp -115.28 82.01 8.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.656 0.741 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -37.09 9.5 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 8.1 pt-20 -52.53 -45.34 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -48.03 -40.49 22.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.468 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 11.0 m-85 -79.66 -21.72 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.79 -54.38 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -72.81 -47.13 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -68.42 147.09 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -93.81 -46.47 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.733 ' CB ' HD21 ' A' ' 86' ' ' LEU . 25.0 mmmt -132.23 84.51 52.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 54.4 Cg_endo -69.7 83.61 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG21 ' OD1' ' A' ' 83' ' ' ASP . 5.2 p -107.15 165.21 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.651 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.8 p30 -145.86 -179.24 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 9.4 m-85 -68.58 -52.07 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HD2' HG22 ' A' ' 41' ' ' ILE . 18.3 mtpp -42.87 -41.26 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' ILE . 4.9 mmmm -72.53 -62.88 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.626 HG23 HD12 ' A' ' 80' ' ' LEU . 58.1 mt -38.03 -42.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HG2' HG21 ' A' ' 22' ' ' ILE . 6.2 mtpm? -72.86 -43.42 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.79 -46.44 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' CD ' ' HE3' ' A' ' 73' ' ' LYS . 69.9 mtt180 -59.33 -46.83 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.9 mt -52.37 -50.21 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.22 -25.64 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' HIS . 44.1 m-20 -94.45 20.1 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ASN . 7.6 m-70 36.42 35.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE3' ' CD ' ' A' ' 68' ' ' ARG . 6.8 ttpp -79.07 -51.55 9.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 5.3 m-85 -49.36 164.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -119.01 -36.83 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.3 m -160.77 156.38 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -41.48 -43.52 2.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.0 -39.88 3.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.29 -46.59 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.3 tp -62.52 -40.2 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.12 -61.26 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -54.09 -29.49 44.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.663 ' OD1' HG21 ' A' ' 60' ' ' VAL . 16.8 t0 -77.36 -38.26 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 80' ' ' LEU . 98.5 t -68.5 -54.19 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.8 mmt -57.91 -28.87 64.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.733 HD21 ' CB ' ' A' ' 58' ' ' LYS . 21.3 tp -73.54 -37.31 65.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.7 tt -61.27 -23.85 65.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.28 -51.43 7.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' ASN . 11.7 t-80 -53.29 -54.04 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' HIS . 89.6 m-20 -36.37 -37.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.58 -53.74 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 mt-30 -50.63 -18.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.0 m -89.85 -53.55 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.675 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.8 t80 -83.44 -59.92 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.41 ' CG ' HG21 ' A' ' 101' ' ' ILE . 25.0 m-80 -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.49 156.94 9.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 17.5 mt-10 -94.85 157.97 15.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.71 29.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 m -110.06 178.88 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -44.89 -67.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.41 HG21 ' CG ' ' A' ' 95' ' ' ASN . 58.9 mt -49.68 -53.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 16.3 t80 -45.35 -60.48 2.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 107' ' ' VAL . 6.3 mm-40 -48.45 -44.44 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.536 ' OD1' HD22 ' A' ' 36' ' ' LEU . 38.9 t0 -57.86 -51.92 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.2 p -48.76 -41.65 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.7 mp -68.55 -37.25 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.2 t -59.52 -53.19 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' VAL . 77.8 mt -34.31 -55.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -41.7 -66.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t -41.98 -35.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.38 -48.2 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.493 ' CD2' HG11 ' A' ' 84' ' ' VAL . 31.3 t80 -53.77 -46.21 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -61.59 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.2 t -42.59 -37.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -69.44 -57.32 5.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.77 20.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -12.94 34.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -91.92 -20.09 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -96.02 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -43.99 -38.55 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLN . 1.7 tmtp? -67.76 -51.52 48.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' LYS . 13.0 tt0 -34.49 -54.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 mtt -61.81 -53.74 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -47.5 -49.18 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -59.31 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -53.85 -60.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 8.7 mm -56.14 -67.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -38.68 -38.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.488 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 33.2 m -64.19 -51.33 64.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . 58.9 t -65.92 -58.24 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 48.5 mt -41.82 -25.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' HA ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -99.76 -32.52 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.7 t80 -39.7 132.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 p -42.75 -24.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 16.4 mt-10 -43.38 -63.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.96 -8.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.67 ' CD2' HD11 ' A' ' 108' ' ' LEU . 85.7 m-85 -111.03 20.05 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 41' ' ' ILE . 8.7 mm -83.5 -57.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.456 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 17.5 pt20 -131.96 163.68 27.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 59' ' ' PRO . 16.2 mt -110.42 159.53 31.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.1 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ARG . 11.7 t -42.79 125.72 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.3 ttm180 -35.49 -42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.12 -52.61 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -59.3 -51.87 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 tp -132.92 79.7 62.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.36 12.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.85 -42.0 71.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.488 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 11.6 t80 -53.77 -27.5 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -87.35 -17.59 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.25 -57.97 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.75 -38.42 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 26.2 mm -75.27 119.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -61.15 -59.74 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 21.1 mttm -132.52 97.35 17.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.689 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HB2' HD13 ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.8 84.01 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.17 149.94 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.0 m-20 -140.47 168.55 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -52.34 -30.0 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 12.6 mtpp -65.29 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -86.08 -48.27 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -49.59 -36.22 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 69' ' ' ILE . 4.5 mmtp -78.85 -41.92 28.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.27 -59.89 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 22.9 mtt180 -43.74 -52.41 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 66' ' ' LYS . 65.4 mt -48.75 -45.82 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -70.24 -25.5 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -98.19 10.27 40.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 43.56 48.12 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -87.38 -37.35 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 20.6 m-85 -66.42 157.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -97.5 -37.45 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.9 p -168.39 159.47 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 tp -38.26 -37.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.7 -47.45 9.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -62.56 -58.03 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' ASP . 11.6 tp -34.42 -51.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.36 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -42.14 -44.54 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' A' ' 22' ' ' ILE . 79.8 t -69.02 -28.15 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -47.49 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.1 -57.64 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -38.53 -43.87 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.532 ' N ' HD23 ' A' ' 87' ' ' LEU . 88.6 m -67.1 -63.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -40.38 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.426 ' HB3' HD12 ' A' ' 56' ' ' ILE . 80.1 m-20 -37.33 -50.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -52.04 -45.13 64.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.406 HE21 ' CD1' ' A' ' 106' ' ' ILE . 70.6 mt-30 -70.02 -30.58 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.1 m -67.0 -32.15 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.3 t80 -94.47 -53.19 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.96 158.0 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.01 169.67 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 99' ' ' SER . 42.9 mp0 -79.2 169.44 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.4 30.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.2 t -94.16 165.45 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -53.35 -45.68 69.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.5 mt -75.86 -49.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.514 ' O ' HD12 ' A' ' 106' ' ' ILE . 54.9 t80 -37.25 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.57 -44.51 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.21 -59.27 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 p -45.06 -43.16 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 102' ' ' TYR . 3.1 mp -64.69 -34.39 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 110' ' ' SER . 99.2 t -72.5 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.67 HD11 ' CD2' ' A' ' 40' ' ' PHE . 42.7 mt -38.43 -36.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -66.66 -44.32 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' VAL . 1.7 t -62.1 -30.99 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.45 HG21 ' CG ' ' A' ' 28' ' ' TYR . 18.9 t -72.52 -43.35 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.482 ' CD2' HG11 ' A' ' 84' ' ' VAL . 22.5 t80 -58.16 -55.04 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.48 -52.08 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -56.2 -60.99 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.85 -31.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttt-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.614 HD21 ' N ' ' A' ' 10' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.09 43.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 -34.37 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' ' HE3' ' A' ' 18' ' ' MET . 2.1 tm? -82.6 -56.1 4.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -44.24 -42.6 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLN . 33.4 mttm -67.33 -57.23 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.7 tp60 -34.8 -57.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.52 ' HE3' ' CD1' ' A' ' 14' ' ' LEU . 8.0 mtm -54.2 -53.2 56.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -52.23 -49.71 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.64 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.515 HD11 HD11 ' A' ' 77' ' ' LEU . 38.7 mt -66.46 -66.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASP . 10.1 mm -48.21 -59.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ILE . 23.7 t0 -33.84 -53.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -63.42 -46.64 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.29 -60.27 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 22' ' ' ILE . 56.5 mt -56.88 -35.6 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.23 44.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD2' HG21 ' A' ' 111' ' ' VAL . 33.0 t80 -103.66 134.05 47.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 pttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 82.1 p -48.09 -19.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -49.01 -57.79 5.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.92 -3.1 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.47 18.38 16.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mm -88.22 -60.53 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.58 158.65 16.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.2 mt -127.07 156.19 74.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.65 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -41.48 146.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -54.21 -25.52 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -72.56 -56.67 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.31 -63.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 15.0 tp -119.41 83.49 26.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -41.85 3.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 16.7 pt-20 -47.88 -48.84 31.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CZ ' HG13 ' A' ' 56' ' ' ILE . 83.0 t80 -42.48 -48.57 5.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.61 -31.04 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' GLU . 73.3 mt-10 -60.39 -57.64 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.97 -44.17 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.483 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 19.1 mm -67.14 126.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -65.1 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 19.5 mtpt -132.49 93.18 25.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' LYS . 53.6 Cg_endo -69.78 91.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.918 HG11 ' OD1' ' A' ' 83' ' ' ASP . 12.7 p -104.64 133.84 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' PHE . 50.5 p-10 -111.82 148.33 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 6.8 m-85 -36.74 -63.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' PHE . 13.5 mtpp -34.58 -58.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 67' ' ' GLU . 16.1 tppt? -50.52 -59.2 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.5 mt -41.8 -37.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.97 -37.33 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' LYS . 10.1 tt0 -49.14 -51.69 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' ASN . 39.4 mtp85 -53.01 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.3 mt -38.44 -40.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -80.49 -34.09 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' ARG . 39.3 m-20 -87.59 22.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.68 -37.78 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 80' ' ' LEU . 3.8 m-85 -64.63 145.31 56.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -99.49 -34.93 10.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 m -163.59 157.72 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD11 HD11 ' A' ' 21' ' ' ILE . 1.4 tt -42.48 -51.57 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.28 -48.04 3.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 -55.51 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 74' ' ' TYR . 25.2 tp -41.44 -49.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.9 tt0 -49.87 -59.23 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 28.0 mtpp -34.41 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.918 ' OD1' HG11 ' A' ' 60' ' ' VAL . 10.4 t0 -73.7 -60.04 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 112' ' ' PHE . 85.3 t -40.08 -50.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.54 -32.81 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.4 tm? -67.53 -41.46 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -60.36 -37.9 82.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.408 ' N ' HD23 ' A' ' 87' ' ' LEU . 80.0 m -71.47 -58.4 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -46.56 -47.21 19.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -52.79 -36.35 58.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.06 -59.71 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -52.83 -29.78 29.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.5 m -59.56 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.548 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.0 t80 -78.71 -53.44 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.03 165.51 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 4.2 mm? -92.27 162.85 14.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 99' ' ' SER . 30.5 mt-10 -68.33 159.56 31.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 33.96 32.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' GLU . 36.4 t -94.4 153.3 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 99' ' ' SER . 8.6 tp-100 -34.15 -57.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . 71.5 mt -68.61 -45.72 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.625 ' O ' HD12 ' A' ' 106' ' ' ILE . 20.5 t80 -36.72 -61.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 107' ' ' VAL . 36.3 mt-10 -49.52 -39.21 33.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 4.5 m-20 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -54.79 -43.02 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 102' ' ' TYR . 4.5 mp -67.49 -55.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' LEU . 95.4 t -50.8 -57.31 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.1 mt -36.03 -52.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -47.96 -58.17 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.16 -32.43 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 28' ' ' TYR . 15.3 t -72.62 -52.35 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CD1' HG11 ' A' ' 84' ' ' VAL . 75.2 t80 -52.44 -53.98 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -57.02 -46.04 82.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -59.25 -36.66 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.59 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' ' 14' ' ' LEU . 53.7 Cg_endo -69.72 168.62 21.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.98 17.46 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -72.51 -29.75 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -91.81 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -43.92 -43.51 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -68.96 -55.35 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.7 -56.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.7 mtm -53.04 -54.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -53.75 -59.47 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.28 -47.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.604 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 65.7 mt -59.76 -64.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.793 HG21 ' HD3' ' A' ' 66' ' ' LYS . 15.2 mm -53.2 -60.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.9 t0 -34.34 -48.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 m -66.32 -51.65 55.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 46.7 t -59.24 -23.26 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.592 HD12 ' CG2' ' A' ' 22' ' ' ILE . 73.4 mt -97.26 -25.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 10.7 p30 -105.62 16.57 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 29' ' ' LYS . 34.6 t80 -81.14 146.5 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CE2' ' A' ' 28' ' ' TYR . 9.9 ptpp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -53.02 -16.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -53.12 -44.05 67.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -80.85 -4.33 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 85.6 m-85 -115.01 13.74 17.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.796 HG22 ' HD2' ' A' ' 63' ' ' LYS . 36.3 mm -70.28 -57.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.9 -175.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD13 ' HE2' ' A' ' 52' ' ' TYR . 23.3 mt -134.41 158.43 75.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 132.24 22.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 t -50.93 156.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -64.8 -46.49 81.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -44.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.97 -56.84 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' HG2' ' A' ' 51' ' ' GLU . 51.8 tp -123.95 75.27 57.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.82 15.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 49' ' ' LEU . 5.4 pt-20 -55.75 -38.06 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' HE2' HD13 ' A' ' 43' ' ' LEU . 72.3 t80 -57.19 -21.73 35.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.9 -7.18 37.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.18 -53.85 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -75.39 -34.21 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.539 HG23 ' ND2' ' A' ' 90' ' ' ASN . 38.6 mm -78.91 139.56 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -82.33 -58.16 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -132.37 85.51 48.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.55 0.69 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.591 HG22 ' N ' ' A' ' 61' ' ' ASP . 15.0 p -94.81 164.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -136.33 153.63 51.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -54.12 -28.98 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HD2' HG22 ' A' ' 41' ' ' ILE . 19.5 mtpp -65.85 -25.85 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.99 -48.45 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.99 -35.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.793 ' HD3' HG21 ' A' ' 22' ' ' ILE . 2.6 mmmm -80.09 -37.02 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.01 -41.8 62.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.6 mtt-85 -65.65 -54.83 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.9 mt -46.85 -56.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 10.4 ptm180 -59.36 -31.64 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 26.0 m-20 -94.47 20.68 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 39.24 29.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HZ3' ' HA ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -66.49 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 12.8 m-85 -37.86 146.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -92.42 -34.73 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 77' ' ' LEU . 35.3 p -165.77 152.25 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' SER . 4.0 tp -35.97 -42.94 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.4 -48.37 3.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.37 -49.57 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.68 -64.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LYS . 59.1 tt0 -41.62 -63.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 81' ' ' GLU . 41.7 mtmt -35.76 -47.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -49.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 112' ' ' PHE . 89.8 t -49.63 -54.51 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.4 mmt -62.4 -28.92 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -53.04 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB2' HG13 ' A' ' 60' ' ' VAL . 1.0 OUTLIER -49.67 -37.86 30.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 74.6 m -77.19 -51.65 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -49.72 -54.33 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.539 ' ND2' HG23 ' A' ' 56' ' ' ILE . 2.6 m120 -49.62 -36.6 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -60.78 -63.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -47.15 -35.34 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.2 m -61.72 -36.74 81.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.1 t80 -92.97 -58.8 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.402 ' OD1' HD12 ' A' ' 101' ' ' ILE . 6.4 m-80 -58.35 135.19 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.07 153.91 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.854 ' N ' HD13 ' A' ' 96' ' ' LEU . 28.0 mt-10 -67.89 171.25 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.89 31.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -98.25 -178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -65.02 -56.68 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.402 HD12 ' OD1' ' A' ' 95' ' ' ASN . 81.9 mt -66.24 -47.56 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 41.0 t80 -38.19 -70.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -40.0 -40.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 1.0 OUTLIER -60.97 -55.96 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.9 p -44.39 -37.08 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.41 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -72.36 -38.27 60.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' LEU . 57.9 t -63.61 -57.13 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' VAL . 37.7 mt -35.93 -48.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -51.54 -55.61 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -34.43 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.4 t -71.39 -43.98 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CD1' HG11 ' A' ' 84' ' ' VAL . 62.4 t80 -50.15 -63.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 116' ' ' ARG . 21.8 mtpt -44.54 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m -38.14 -47.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -54.77 -40.55 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' LYS . 36.0 tpt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.584 HD21 ' N ' ' A' ' 10' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 160.07 51.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.78 35.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -86.19 -38.49 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.72 -54.17 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 m -51.93 -53.28 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -46.14 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -40.59 -54.79 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' A' ' 74' ' ' TYR . 7.8 mtt -50.89 -51.49 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ALA . 4.4 m120 -60.81 -59.63 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.64 -44.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CD1' HD11 ' A' ' 77' ' ' LEU . 53.4 mt -65.67 -72.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.596 ' CG2' HD12 ' A' ' 26' ' ' ILE . 14.3 mm -43.81 -55.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' ILE . 15.4 t0 -38.18 -50.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.3 m -66.61 -59.2 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.4 t -45.46 -62.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.596 HD12 ' CG2' ' A' ' 22' ' ' ILE . 80.1 mt -52.56 -41.74 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -100.69 46.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 8.8 t80 -103.82 153.14 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 19.0 pttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.0 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 40' ' ' PHE . 3.9 p -42.56 -24.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 21.4 mt-10 -36.53 -70.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG21 HD12 ' A' ' 101' ' ' ILE . 2.1 m -62.96 -15.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.669 ' HB3' HD11 ' A' ' 87' ' ' LEU . 50.8 m-85 -103.95 20.36 18.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mm -85.0 -67.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 11.5 tm0? -119.06 147.02 44.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 11.5 mt -98.62 156.02 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.9 66.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -67.08 120.09 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -42.16 -43.3 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -50.55 -49.18 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -73.58 -45.27 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' CG ' ' A' ' 51' ' ' GLU . 41.6 tp -127.73 76.37 77.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.09 3.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' CG ' HD12 ' A' ' 49' ' ' LEU . 6.4 pt-20 -46.74 -43.82 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' HE2' HD13 ' A' ' 43' ' ' LEU . 63.4 t80 -50.14 -35.98 28.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -81.51 -20.86 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.57 -55.84 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.96 -40.83 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.579 HG23 ' OD1' ' A' ' 90' ' ' ASN . 14.2 mm -74.58 134.46 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -80.81 -57.97 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.68 86.78 57.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.74 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.2 p -109.8 163.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 87' ' ' LEU . 14.8 m-20 -142.95 -176.82 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' HG12 ' A' ' 26' ' ' ILE . 29.1 m-85 -71.1 -17.86 62.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' C ' ' HE2' ' A' ' 64' ' ' LYS . 19.0 mtpp -78.19 -28.43 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -88.47 -43.42 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.31 -52.05 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' GLU . 24.3 mttt -59.86 -55.43 34.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LYS . 23.3 mt-10 -38.13 -53.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -50.36 -49.15 54.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.2 mt -51.12 -65.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -12.39 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -91.17 1.22 57.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 56.49 36.94 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -49.74 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.43 ' HB3' ' CE ' ' A' ' 18' ' ' MET . 4.9 m-85 -49.94 118.36 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -74.58 -38.0 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -152.1 172.13 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 21' ' ' ILE . 32.6 tp -63.34 -33.55 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.89 88.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.39 -43.09 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 84' ' ' VAL . 45.0 tp -55.41 -49.66 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' OE1' ' CE1' ' A' ' 112' ' ' PHE . 4.6 tp10 -48.3 -54.64 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -44.43 -54.22 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.86 -53.91 49.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 112' ' ' PHE . 99.2 t -46.59 -54.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.2 mmt -60.33 -29.28 68.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -67.4 -54.91 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -46.62 -37.64 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 57.2 m -72.46 -57.27 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -45.29 -60.08 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 56' ' ' ILE . 62.8 m-20 -40.44 -29.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -69.44 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.09 -22.35 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.1 m -76.03 -28.67 57.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.8 t80 -103.52 -57.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' A' ' 101' ' ' ILE . 12.0 m120 -67.65 138.88 56.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mp -52.72 -178.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 30.7 mt-10 -84.58 165.11 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.18 32.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 40.8 t -97.81 166.66 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.817 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -41.9 -51.74 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 39' ' ' VAL . 7.4 mm -67.69 -49.24 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' O ' HD12 ' A' ' 106' ' ' ILE . 8.7 t80 -41.19 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -48.97 -54.94 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.98 -46.66 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 108' ' ' LEU . 5.4 p -59.53 -44.04 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.0 -42.02 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 111' ' ' VAL . 97.1 t -63.09 -55.31 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 105' ' ' SER . 62.3 mt -38.86 -44.51 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -55.95 -55.45 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -53.57 -24.08 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 107' ' ' VAL . 6.0 t -82.98 -47.42 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD2' HG11 ' A' ' 84' ' ' VAL . 51.1 t80 -54.97 -50.05 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -56.6 -64.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -52.91 -39.14 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -69.53 -45.62 68.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.73 -57.44 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 m -42.79 -49.02 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLN . 53.6 mttm -59.84 -58.47 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . 36.8 tt0 -35.63 -56.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.8 mtt -51.65 -52.17 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ALA . 69.0 m-20 -58.16 -59.62 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -36.19 -36.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.567 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 49.9 mt -71.96 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -49.03 -56.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' ILE . 10.0 t70 -38.14 -59.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.8 m -56.7 -41.36 77.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 21' ' ' ILE . 99.1 t -62.1 -62.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.7 mt -57.81 -36.47 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -69.95 -39.73 75.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -41.25 148.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 p -42.45 -23.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.6 mt-10 -50.62 -51.54 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -73.93 2.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.73 4.99 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mm -73.11 -73.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -99.36 152.49 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.3 mt -103.05 159.21 29.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.646 0.736 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.76 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -47.67 135.97 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PRO . 83.6 mtm180 -53.01 -41.34 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -54.47 -54.79 36.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.07 -55.83 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.555 HD21 ' CE2' ' A' ' 94' ' ' PHE . 59.0 tp -125.58 74.78 69.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.74 -49.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG2' HD12 ' A' ' 49' ' ' LEU . 9.5 pt-20 -40.42 -43.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.469 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 2.5 t80 -43.87 -42.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -72.0 -32.35 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -56.49 -61.69 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -63.73 -47.34 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.71 135.79 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -87.98 -63.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -111.73 81.23 3.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 80.0 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -95.03 152.54 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' HD12 ' A' ' 87' ' ' LEU . 1.2 p-10 -129.06 -176.06 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.38 -36.41 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 14.8 mmmt -58.76 -48.13 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -61.34 -59.27 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -39.01 -47.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -62.95 -54.59 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 63' ' ' LYS . 1.4 mp0 -43.51 -60.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 9.4 mmm180 -37.99 -50.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mt -55.99 -43.57 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -70.67 -30.39 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' HIS . 31.8 m-20 -94.33 21.36 7.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ASN . 56.8 m-70 37.71 51.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -41.97 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.1 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -91.15 -38.71 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 t -150.15 169.52 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.37 -49.31 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.38 -40.33 2.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -57.25 -51.99 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 84' ' ' VAL . 40.6 tp -51.78 -43.67 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.79 -48.47 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.98 -54.87 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -61.14 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.648 HG11 ' CD1' ' A' ' 112' ' ' PHE . 90.9 t -39.43 -57.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.614 ' HE2' HG12 ' A' ' 84' ' ' VAL . 38.2 mmt -59.34 -38.21 79.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.51 HD13 ' ND2' ' A' ' 90' ' ' ASN . 1.0 OUTLIER -60.04 -47.13 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.2 tt -56.48 -30.92 63.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.3 m -83.84 -16.41 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.34 -59.24 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.51 ' ND2' HD13 ' A' ' 86' ' ' LEU . 1.1 p30 -51.97 -31.07 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.62 -30.49 70.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 94.9 m -62.48 -46.36 88.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CE2' HD21 ' A' ' 49' ' ' LEU . 2.5 t80 -79.82 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.47 152.65 33.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.97 160.11 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 14.4 mp0 -69.72 161.51 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.36 32.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.7 t -92.23 -174.97 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.67 -62.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.77 -40.62 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 19.2 t80 -41.44 -66.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.51 -41.79 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -59.16 -53.33 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.0 p -47.44 -34.01 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.0 mp -78.46 -41.99 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.9 t -60.83 -61.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 107' ' ' VAL . 54.4 mt -36.42 -45.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.49 -56.56 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.7 m -50.8 -25.65 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 t -83.39 -40.75 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CD1' HG11 ' A' ' 84' ' ' VAL . 45.9 t80 -57.49 -41.45 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -46.65 77.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -53.41 -42.56 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -65.55 -44.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 169.96 17.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -64.04 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD23 ' SD ' ' A' ' 18' ' ' MET . 6.9 tt -81.12 -59.15 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.3 m -42.6 -52.47 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -57.73 -45.25 86.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' HG2' HD22 ' A' ' 77' ' ' LEU . 33.0 tp60 -38.15 -54.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.73 -57.05 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' ILE . 34.9 m120 -58.18 -60.73 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.81 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 25' ' ' VAL . 45.9 mt -82.51 -48.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.601 ' CG2' HD12 ' A' ' 26' ' ' ILE . 17.0 mm -65.6 -53.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -45.6 -22.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -94.16 -33.57 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 21' ' ' ILE . 87.7 t -75.47 -51.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 ' CG2' ' A' ' 22' ' ' ILE . 94.9 mt -62.96 -35.46 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' TYR . 3.1 m-20 -71.11 -42.78 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' HB2' HG11 ' A' ' 111' ' ' VAL . 20.7 t80 -36.48 148.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 p -43.06 -24.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.2 -57.96 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.01 -3.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.671 ' CD2' HD11 ' A' ' 108' ' ' LEU . 97.7 m-85 -113.6 8.63 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 ' HD2' ' A' ' 63' ' ' LYS . 10.1 mm -74.73 -56.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 167.38 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 15.7 mt -114.8 159.92 35.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.79 120.95 7.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -39.99 155.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -68.65 -57.34 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -43.95 -44.3 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.16 -52.41 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD11 ' CD ' ' A' ' 51' ' ' GLU . 12.4 tp -131.98 79.34 67.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.638 ' CD ' HD11 ' A' ' 49' ' ' LEU . 6.7 pt-20 -70.05 -41.4 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 8.1 t80 -52.98 -22.95 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -94.6 -29.09 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.3 -61.41 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -66.63 -43.19 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 49.8 mm -70.34 130.93 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.6 mmm180 -71.78 -63.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.6 mttm -130.22 88.81 46.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HB2' HD13 ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.77 111.93 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -130.46 148.98 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -124.07 -179.39 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' LYS . 8.9 m-85 -65.43 -67.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.511 ' HD2' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -39.62 -26.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.68 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 57.9 mt -42.19 -42.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 69' ' ' ILE . 36.2 mtmt -69.02 -33.95 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 18.4 tp10 -60.01 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 13.8 mmm-85 -82.52 -47.71 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 66' ' ' LYS . 82.0 mt -46.66 -56.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -62.48 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' HIS . 86.8 m-20 -85.33 21.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 35.3 m-70 35.66 37.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -46.7 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -65.41 120.94 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -42.85 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.1 p -154.22 170.81 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 21' ' ' ILE . 24.1 tp -50.4 -47.79 56.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.88 -41.38 2.55 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.6 -53.44 56.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 16.2 tp -43.68 -50.65 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.1 tt0 -48.46 -63.86 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.3 mtmm -37.25 -38.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.95 -58.35 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.758 HG11 ' CD1' ' A' ' 112' ' ' PHE . 92.1 t -41.94 -55.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.407 ' HE2' HG12 ' A' ' 84' ' ' VAL . 34.7 mmt -59.94 -32.02 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 58' ' ' LYS . 12.8 tp -69.2 -52.84 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -53.43 -28.66 31.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 m -87.34 -19.0 28.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -84.39 -57.63 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -19.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.54 -34.96 60.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -82.22 -29.78 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -62.25 -37.35 85.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -87.77 -59.28 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.744 ' OD1' HD12 ' A' ' 101' ' ' ILE . 16.8 m-80 -60.56 165.05 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.11 169.09 12.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.1 mt-10 -73.54 162.65 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.74 30.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -91.18 177.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -58.14 -54.03 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.744 HD12 ' OD1' ' A' ' 95' ' ' ASN . 71.9 mt -71.31 -41.83 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 13.1 t80 -44.48 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -40.6 -45.03 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -56.28 -55.8 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.7 p -45.28 -36.06 3.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.4 -38.33 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 111' ' ' VAL . 90.5 t -65.21 -62.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.671 HD11 ' CD2' ' A' ' 40' ' ' PHE . 29.2 mt -39.08 -41.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 t -56.52 -27.82 58.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 28' ' ' TYR . 3.8 t -78.58 -41.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.758 ' CD1' HG11 ' A' ' 84' ' ' VAL . 71.3 t80 -55.83 -53.91 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -49.01 -56.22 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -60.58 -38.48 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -38.51 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.61 0.719 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.17 19.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.05 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -75.17 -35.66 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.4 tt -84.2 -57.37 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 94.3 m -51.59 -53.43 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 19.8 tptm -45.65 -52.59 10.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -41.64 -49.37 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.8 mtt -52.72 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -44.67 -47.85 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.08 -35.32 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' A' ' 115' ' ' ALA . 34.2 mt -81.1 -65.71 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.698 ' CG2' HD12 ' A' ' 26' ' ' ILE . 21.5 mm -46.68 -53.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' ILE . 8.1 t70 -35.4 -59.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 28' ' ' TYR . 92.4 m -55.64 -67.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.66 -62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.698 HD12 ' CG2' ' A' ' 22' ' ' ILE . 51.1 mt -54.95 -33.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -106.02 30.55 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -104.76 152.42 22.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 47.5 pttt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.8 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.3 p -61.02 -22.11 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.25 -41.96 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 36' ' ' LEU . 2.8 m -82.16 -8.01 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 108' ' ' LEU . 80.6 m-85 -114.05 18.36 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.457 HG22 ' HD2' ' A' ' 63' ' ' LYS . 34.6 mm -75.14 -64.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -107.78 154.62 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -112.96 156.31 42.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 119.91 6.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p -59.13 146.8 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -50.17 -49.98 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -44.51 -43.67 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -76.55 -57.38 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 44.8 tp -133.02 86.99 41.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -38.07 8.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.6 pt-20 -50.79 -43.04 58.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.423 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 88.4 t80 -44.35 -32.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -86.58 -28.8 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 34.9 mm-40 -59.52 -48.02 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -82.04 -47.05 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.28 134.7 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -83.22 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.543 ' HB2' HD21 ' A' ' 86' ' ' LEU . 44.3 mttt -123.43 82.75 52.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 80.23 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 61' ' ' ASP . 14.7 p -88.83 154.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -128.52 169.26 14.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' HA ' HD12 ' A' ' 65' ' ' ILE . 13.1 m-85 -69.29 -14.01 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HD2' HG22 ' A' ' 41' ' ' ILE . 22.1 mtpp -80.79 -24.27 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 1.4 mmpt? -88.2 -39.27 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 62' ' ' PHE . 26.9 mt -60.51 -38.16 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HA ' HD12 ' A' ' 69' ' ' ILE . 33.7 mttt -71.97 -53.24 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -45.16 -56.13 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 10.7 mmm180 -43.71 -51.48 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 66' ' ' LYS . 48.4 mt -53.38 -36.76 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -76.15 -37.33 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.49 22.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 39.98 42.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.05 -58.61 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -56.0 147.75 19.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -102.19 -35.9 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.5 p -160.43 173.58 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 77' ' ' LEU . 2.6 mm? -51.82 -34.59 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -21.3 9.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.87 -33.49 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 84' ' ' VAL . 12.0 tp -74.28 -44.78 51.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.09 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.05 -31.05 64.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -38.35 23.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 80' ' ' LEU . 89.4 t -68.05 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 32.6 mmt -51.18 -26.6 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 58' ' ' LYS . 43.8 tp -74.32 -48.59 27.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 87' ' ' LEU . 3.7 tt -53.32 -26.39 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.5 m -86.74 -36.67 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -69.5 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 58' ' ' LYS . 70.4 m-20 -51.57 -32.95 30.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.81 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.01 -20.91 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.8 m -74.09 -33.52 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.643 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.6 t80 -94.98 -58.3 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -52.72 172.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.532 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 8.9 mp -94.16 174.23 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 99' ' ' SER . 4.1 mp0 -86.32 163.42 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.26 29.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.8 t -92.32 174.56 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -61.25 -54.36 45.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.15 -46.58 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 24.7 t80 -41.8 -55.68 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -51.89 -38.73 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.22 -59.92 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.94 ' HA ' HD12 ' A' ' 108' ' ' LEU . 78.1 p -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.37 -50.16 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 111' ' ' VAL . 96.1 t -59.11 -51.83 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' A' ' 105' ' ' SER . 23.8 mt -35.83 -57.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -45.78 -59.45 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.2 t -49.5 -27.6 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 107' ' ' VAL . 14.7 t -80.1 -34.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -64.22 -50.57 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.54 -58.88 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -48.11 -42.07 28.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . -49.69 -59.79 3.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' ALA . 14.6 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.9 26.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -24.94 29.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -71.03 -47.03 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 5.2 tt -72.97 -56.49 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.6 m -50.11 -44.22 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.44 -43.15 95.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.629 ' HG2' HD11 ' A' ' 77' ' ' LEU . 18.7 tt0 -52.95 -47.12 68.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.41 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 8.9 mtm -63.43 -45.79 89.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 26.1 m120 -59.74 -58.66 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.5 -43.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.674 HG21 ' CE1' ' A' ' 112' ' ' PHE . 19.2 mt -63.27 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.624 ' CG2' HD12 ' A' ' 26' ' ' ILE . 12.1 mm -57.98 -57.63 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.6 t0 -34.17 -47.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.1 m -69.9 -44.42 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' ILE . 76.6 t -59.01 -52.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.624 HD12 ' CG2' ' A' ' 22' ' ' ILE . 76.2 mt -63.73 -38.34 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -95.32 34.98 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 6.9 t80 -106.96 154.96 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 64.8 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.844 0.354 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p -39.24 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' LEU . 64.1 mt-10 -50.57 -51.44 48.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 9.2 m -73.53 2.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 42.3 m-85 -125.21 17.93 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.8 mm -75.24 -72.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -114.02 151.62 32.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -92.93 157.72 38.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.47 69.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t -68.79 119.37 13.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 4.3 tmm_? -37.55 -34.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -68.21 -46.13 71.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' SER . 5.6 mm-40 -69.1 -51.88 34.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 94' ' ' PHE . 10.8 tp -126.03 76.03 71.77 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.559 0.695 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -47.92 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -41.44 -46.11 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.35 -43.1 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -71.91 -30.22 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.87 -58.91 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 56' ' ' ILE . 12.7 mm -63.61 139.44 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -92.71 -61.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -118.14 84.9 23.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 128.15 15.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.545 HG21 ' OD2' ' A' ' 83' ' ' ASP . 4.0 p -153.52 154.08 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.2 p30 -132.35 -175.49 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.59 -34.43 77.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -45.67 -47.0 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.403 HG23 ' OH ' ' A' ' 74' ' ' TYR . 96.8 mt -51.35 -41.94 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.19 -38.78 42.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -47.53 -37.98 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -75.02 -29.67 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.44 -73.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -52.74 -30.62 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 30.7 m-20 -72.26 -22.37 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 18.1 m-70 72.47 54.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -109.98 -39.59 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.403 ' OH ' HG23 ' A' ' 65' ' ' ILE . 2.7 m-85 -47.82 145.86 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.39 -36.0 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 m -173.11 163.93 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 17' ' ' GLN . 6.4 mt -46.0 -44.22 14.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.66 -33.75 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.1 m-20 -72.17 -57.84 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 84' ' ' VAL . 37.6 tp -35.3 -43.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' LYS . 43.5 tt0 -61.78 -56.95 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . 13.4 mmtp -34.32 -48.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.545 ' OD2' HG21 ' A' ' 60' ' ' VAL . 9.2 t0 -73.27 -55.3 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 80' ' ' LEU . 96.8 t -40.15 -57.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.9 mmt -56.12 -43.84 78.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.76 -49.47 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -49.91 -35.51 24.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.1 m -74.17 -40.13 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' ASN . 11.7 t60 -57.73 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' HIS . 78.5 m-20 -36.49 -45.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' ND2' ' A' ' 95' ' ' ASN . . . -63.87 -59.18 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -47.68 -20.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.9 m -89.55 -50.33 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 49' ' ' LEU . 1.5 t80 -64.8 -59.41 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -76.29 135.8 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.88 173.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.8 mp0 -79.52 167.03 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.11 27.74 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.2 t -92.04 174.83 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -59.41 -46.67 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.0 mt -77.17 -29.16 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 23.7 t80 -59.05 -69.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.54 -48.5 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -47.47 -52.26 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 108' ' ' LEU . 13.4 p -53.01 -38.63 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.0 mp -68.41 -41.2 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' LEU . 84.4 t -63.22 -54.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 105' ' ' SER . 61.1 mt -36.11 -59.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -43.24 -57.66 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t -47.32 -29.92 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 t -81.41 -43.21 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CE1' HG21 ' A' ' 21' ' ' ILE . 77.1 t80 -63.63 -55.29 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.24 -58.66 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 m -57.12 -45.27 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -47.02 -51.83 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.69 23.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.43 36.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -80.93 -54.07 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.3 -45.01 93.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.501 HG22 ' ND2' ' A' ' 19' ' ' ASN . 8.5 m -60.27 -65.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 31.3 tttp -37.44 -42.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -60.36 -47.19 87.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' THR . 6.4 mtt -58.7 -63.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.501 ' ND2' HG22 ' A' ' 15' ' ' THR . 1.9 p30 -55.7 -35.23 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . -56.86 -37.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.76 -60.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASP . 8.0 mm -55.81 -58.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.2 t0 -34.23 -50.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.7 m -63.02 -60.3 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' HG11 ' A' ' 111' ' ' VAL . 74.1 t -45.48 -55.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' HD3' ' A' ' 66' ' ' LYS . 57.6 mt -60.92 -40.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -96.94 36.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 2.8 t80 -109.98 140.34 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 pttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 36' ' ' LEU . 2.9 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -15.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -39.46 66.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.1 m -85.82 1.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 80.3 m-85 -119.83 9.07 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -66.04 -74.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -100.12 164.47 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.4 mt -121.47 157.97 54.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.45 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.376 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -48.87 174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -80.42 -40.98 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -63.11 -50.57 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.18 -59.13 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 51' ' ' GLU . 25.6 tp -131.01 84.27 58.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -41.25 4.45 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 49' ' ' LEU . 4.6 pt-20 -49.61 -39.27 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -49.28 -37.87 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.86 -19.41 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -70.3 -61.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -66.7 -44.96 80.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.63 139.36 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -83.55 -61.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HB2' HD21 ' A' ' 86' ' ' LEU . 17.0 mttp -128.4 82.96 67.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 81.66 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.767 HG11 ' OD1' ' A' ' 83' ' ' ASP . 7.8 p -88.05 154.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.09 166.13 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -65.89 -25.85 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.64 -53.66 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.37 -42.02 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.1 mt -54.67 -40.23 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HD3' HD12 ' A' ' 26' ' ' ILE . 23.4 mtmm -79.77 -39.42 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.74 -20.95 9.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -84.38 -37.09 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.06 -35.38 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.77 -22.78 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -94.09 18.63 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 42.54 40.6 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -85.36 -63.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -39.18 116.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 -68.76 -31.43 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -160.15 163.23 33.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.5 -48.64 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.63 -39.13 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.09 -55.78 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 84' ' ' VAL . 29.2 tp -42.29 -39.43 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' LYS . 42.6 tt0 -60.99 -64.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' GLU . 88.1 mttt -36.78 -40.54 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.767 ' OD1' HG11 ' A' ' 60' ' ' VAL . 41.2 t0 -73.62 -62.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 80' ' ' LEU . 96.7 t -37.8 -57.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.2 mmt -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 58' ' ' LYS . 18.9 tp -67.52 -58.02 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB2' HG13 ' A' ' 60' ' ' VAL . 1.8 tt -43.26 -29.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.1 m -85.8 -41.37 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -60.01 -62.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -39.06 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.5 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.95 -40.6 96.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.0 m -51.69 -30.99 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.6 t80 -97.96 -55.62 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -63.24 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -72.65 178.56 4.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 1.4 mp0 -92.9 158.52 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.29 25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 p -88.75 170.96 10.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.345 . . . . 0.0 110.85 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -50.3 -50.75 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.17 -48.11 44.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CE2' HD11 ' A' ' 106' ' ' ILE . 49.8 t80 -39.01 -66.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 107' ' ' VAL . 33.1 mt-10 -37.11 -36.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -60.44 -61.39 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.8 p -40.63 -30.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.6 mp -83.18 -44.24 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 103' ' ' GLU . 88.3 t -62.89 -54.98 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.417 HD11 ' CE1' ' A' ' 40' ' ' PHE . 45.6 mt -37.78 -42.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.4 -58.35 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.2 t -48.99 -24.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 25' ' ' VAL . 21.0 t -82.83 -44.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 84' ' ' VAL . 10.5 t80 -60.1 -43.31 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -62.98 -60.68 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -54.62 -28.86 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.51 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.78 23.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -13.35 34.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -84.78 -40.86 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tt -77.92 -50.93 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.0 m -50.48 -51.36 47.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.14 -37.43 82.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -57.71 -51.23 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mtm -55.29 -49.45 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -58.73 -44.31 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -46.18 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.93 -65.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.9 mm -51.53 -62.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -39.75 -50.18 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -60.19 -35.97 76.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.528 HG22 HG12 ' A' ' 111' ' ' VAL . 73.1 t -74.24 -70.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 62' ' ' PHE . 82.2 mt -43.36 -43.73 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' TYR . 10.2 m120 -61.59 -41.32 97.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.694 ' CD2' HG21 ' A' ' 111' ' ' VAL . 4.6 t80 -35.74 148.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 9.2 ptpp? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 80.7 p -40.49 -28.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' LEU . 13.1 mt-10 -41.97 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -55.35 -13.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 87' ' ' LEU . 89.6 m-85 -107.02 21.02 18.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 63' ' ' LYS . 15.6 mm -93.89 -67.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.425 ' HG3' ' CD ' ' A' ' 63' ' ' LYS . 12.8 mt-30 -109.91 138.33 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 52' ' ' TYR . 19.3 mt -85.0 158.86 58.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 138.29 37.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.4 t -51.02 134.77 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.12 -47.76 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.38 -42.76 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -63.58 -52.82 59.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 28.7 tp -134.39 82.24 46.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.2 8.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 10.5 pt-20 -52.6 -44.25 65.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 43' ' ' LEU . 35.4 t80 -43.82 -40.76 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.409 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 79.9 m-85 -80.42 -22.53 41.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 35.3 mt-10 -67.99 -62.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.85 -48.24 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.38 134.01 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -77.36 -62.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -127.79 87.17 56.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.546 0.688 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.73 94.6 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.536 HG22 ' N ' ' A' ' 61' ' ' ASP . 5.6 p -103.51 159.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.746 ' HA ' HD12 ' A' ' 87' ' ' LEU . 9.0 m-20 -142.38 156.04 45.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 26' ' ' ILE . 3.5 m-85 -43.37 -51.61 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' CD ' ' HG3' ' A' ' 42' ' ' GLN . 11.9 mtpp -45.37 -44.06 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.89 -50.99 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.27 -45.95 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' GLU . 9.0 mtpm? -72.3 -50.66 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' LYS . 33.5 tt0 -36.92 -34.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -72.73 -56.04 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -42.96 -41.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 70' ' ' ARG . 1.3 ptp180 -77.46 -29.87 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -90.85 8.66 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 49.88 33.87 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -75.57 -44.68 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -52.6 147.67 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -94.92 -34.81 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 t -168.35 175.88 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -52.66 -58.19 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.1 -42.83 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.2 t0 -55.39 -59.75 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ASP . 59.3 tp -34.68 -54.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 30.3 tt0 -48.97 -54.15 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 48.0 mttt -35.87 -39.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.99 -58.72 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.991 HG11 ' CD1' ' A' ' 112' ' ' PHE . 91.3 t -39.95 -54.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.544 ' HE1' ' CD2' ' A' ' 112' ' ' PHE . 36.5 mmt -56.37 -38.49 71.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD12 ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -60.24 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 61' ' ' ASP . 7.3 tt -47.08 -22.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.5 m -93.3 -30.72 15.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -68.68 -55.57 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.462 ' ND2' HD12 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -52.21 -26.0 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.555 ' NE2' HD11 ' A' ' 106' ' ' ILE . 2.3 mm100 -77.46 -8.25 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 m -82.71 -59.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.2 t80 -71.01 -49.41 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.586 ' OD1' HD12 ' A' ' 101' ' ' ILE . 49.5 m-80 -79.58 164.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.36 170.98 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' SER . 19.1 mt-10 -60.96 168.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.36 26.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 47.1 t -94.28 143.01 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.7 tp-100 -35.22 -57.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.586 HD12 ' OD1' ' A' ' 95' ' ' ASN . 54.7 mt -65.21 -45.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 21.9 t80 -47.14 -57.84 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.77 -36.79 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -58.75 -34.14 71.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p -68.09 -52.67 32.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.555 HD11 ' NE2' ' A' ' 92' ' ' GLN . 4.6 mm -38.22 -48.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 28' ' ' TYR . 80.9 t -61.23 -58.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 40' ' ' PHE . 79.3 mt -36.39 -54.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -56.75 -56.79 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -49.11 -35.78 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.694 HG21 ' CD2' ' A' ' 28' ' ' TYR . 87.8 t -77.71 -24.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.991 ' CD1' HG11 ' A' ' 84' ' ' VAL . 62.9 t80 -76.29 -50.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -56.93 -57.02 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t -59.32 -37.54 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 111' ' ' VAL . . . -53.47 -29.22 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.425 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 65.9 mtm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.74 26.53 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.15 32.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -84.56 -39.09 19.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -85.58 -52.66 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 m -49.63 -51.52 37.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -57.24 -49.09 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.2 tt0 -40.54 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.433 ' HE1' ' HB2' ' A' ' 74' ' ' TYR . 16.3 mtt -35.12 -71.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -43.7 -56.13 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . -38.79 -47.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 77' ' ' LEU . 34.0 mt -60.1 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 26' ' ' ILE . 28.2 mm -58.82 -56.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' ILE . 35.9 t70 -34.39 -62.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.3 m -51.79 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ILE . 69.7 t -70.82 -73.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 ' CG2' ' A' ' 22' ' ' ILE . 76.4 mt -42.11 -34.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' TYR . 4.0 m120 -75.62 -43.83 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 13.7 t80 -37.13 151.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' PHE . 86.5 p -40.0 -28.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 19.5 mt-10 -40.29 -69.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -58.86 -13.4 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 108' ' ' LEU . 61.2 m-85 -108.41 16.97 22.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 42' ' ' GLN . 10.5 mm -80.41 -74.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.514 ' N ' HG22 ' A' ' 41' ' ' ILE . 19.7 tp60 -130.29 114.59 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.1 mt -64.24 160.3 50.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.814 ' CG ' HD23 ' A' ' 49' ' ' LEU . 53.9 Cg_endo -69.79 145.72 57.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -56.01 167.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -79.74 -43.41 22.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -26.14 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.62 -52.41 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' CG ' ' A' ' 44' ' ' PRO . 18.7 tp -121.57 69.86 24.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 55' ' ' LEU . 7.7 pt-20 -38.11 -44.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.582 ' CE1' HG13 ' A' ' 56' ' ' ILE . 42.5 t80 -52.64 -44.89 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' PRO . 64.2 m-85 -73.23 -9.05 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 5.3 mm-40 -82.46 -47.34 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -82.29 -34.14 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 52' ' ' TYR . 41.9 mm -74.76 137.66 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -84.29 -60.32 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.735 ' HB2' HD21 ' A' ' 86' ' ' LEU . 51.6 mttt -125.52 85.54 58.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.544 HG11 ' OD1' ' A' ' 83' ' ' ASP . 5.6 p -122.6 162.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 87' ' ' LEU . 74.2 m-20 -147.86 177.18 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 26' ' ' ILE . 6.7 m-85 -60.1 -56.58 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -49.84 -25.73 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.75 -53.42 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 83.0 mt -51.51 -43.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 69' ' ' ILE . 10.0 mmtp -61.68 -56.08 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -54.07 -24.15 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 9.7 tpt180 -78.9 -31.97 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 66' ' ' LYS . 24.3 mt -77.23 -57.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -57.02 -14.93 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -95.07 11.71 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 49.85 30.8 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -79.14 -17.63 54.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 68' ' ' ARG . 10.2 m-85 -89.64 155.4 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -113.81 -36.9 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -145.49 145.29 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 21' ' ' ILE . 18.7 tp -43.85 -52.51 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.94 -41.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' LEU . 14.6 t0 -54.7 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 53.8 tp -36.21 -49.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.7 tt0 -45.17 -60.08 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' GLU . 38.6 mmtt -35.48 -49.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.544 ' OD1' HG11 ' A' ' 60' ' ' VAL . 14.3 t0 -66.35 -54.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 112' ' ' PHE . 99.2 t -45.07 -47.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.4 mmt -63.36 -36.91 85.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 58' ' ' LYS . 25.7 tp -68.11 -49.54 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 61' ' ' ASP . 3.8 tt -45.77 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.22 -49.44 10.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -52.41 -51.18 60.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -43.82 -44.2 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.17 -59.87 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -45.88 -34.52 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -63.59 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.4 t80 -80.53 -57.06 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.471 ' OD1' HD12 ' A' ' 101' ' ' ILE . 48.4 m-80 -68.18 151.8 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.7 177.64 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 21.8 mt-10 -75.37 159.58 31.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.25 27.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -87.1 168.76 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -48.52 -59.34 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.471 HD12 ' OD1' ' A' ' 95' ' ' ASN . 31.3 mt -67.34 -39.21 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -41.94 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 107' ' ' VAL . 8.0 mm-40 -40.51 -49.87 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -46.89 -45.15 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 p -57.74 -36.61 72.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.19 -29.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 103' ' ' GLU . 58.0 t -73.05 -66.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.644 HD11 ' CE2' ' A' ' 40' ' ' PHE . 35.2 mt -34.39 -49.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -56.25 -50.43 71.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' VAL . 35.0 m -55.99 -26.54 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.3 t -84.97 -41.04 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CD1' HG11 ' A' ' 84' ' ' VAL . 65.4 t80 -51.6 -51.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -54.34 -53.51 52.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -53.76 -44.13 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.86 -44.94 82.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.909 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.59 27.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.228 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -83.38 -33.27 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.0 tm? -83.41 -59.5 2.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -43.06 -51.79 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.3 mmmt -61.08 -52.82 63.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' LYS . 50.7 tt0 -35.29 -53.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.9 mtm -61.55 -46.16 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.86 -55.17 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.45 -40.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 112' ' ' PHE . 17.8 mt -71.61 -72.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.57 ' CG2' HD12 ' A' ' 26' ' ' ILE . 13.1 mm -43.06 -54.25 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.0 t70 -35.31 -62.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -57.31 -54.12 50.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.54 -64.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.57 HD12 ' CG2' ' A' ' 22' ' ' ILE . 91.9 mt -57.95 -42.35 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -97.2 40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 111' ' ' VAL . 25.7 t80 -97.05 136.91 36.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 p -56.4 -13.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -49.1 -55.13 13.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -75.02 5.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -126.34 19.47 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 7.2 mm -87.32 -74.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -97.72 148.87 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -102.13 156.34 35.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.53 42.84 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 t -61.72 140.91 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' PRO . 62.1 mtm180 -56.05 -46.67 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -51.27 -54.27 27.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.28 -59.71 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 52' ' ' TYR . 26.5 tp -117.81 70.88 7.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.75 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HA ' ' CD ' ' A' ' 54' ' ' GLU . 2.3 pt-20 -39.95 -44.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 10.7 t80 -45.8 -42.32 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.975 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -73.29 -24.68 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' CD ' ' HA ' ' A' ' 51' ' ' GLU . 92.3 mt-10 -64.88 -61.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -62.41 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.9 mm -78.49 143.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -111.27 -31.97 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.991 ' HB2' HD21 ' A' ' 86' ' ' LEU . 18.3 mmmt -121.01 67.94 16.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.383 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.498 HG22 ' N ' ' A' ' 61' ' ' ASP . 14.9 p -99.83 158.78 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -136.71 163.93 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.17 -27.64 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CD ' ' O ' ' A' ' 41' ' ' ILE . 13.9 mtpt -66.86 -46.13 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -62.12 -53.79 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.3 mt -45.18 -57.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 69' ' ' ILE . 4.5 mtpm? -53.27 -45.37 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.01 -46.66 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.546 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 17.3 mmt180 -53.16 -22.69 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 66' ' ' LYS . 58.4 mt -81.12 -65.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.26 -22.53 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 33.2 m-20 -92.54 16.75 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 11.3 m-70 35.97 31.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -72.54 -56.02 6.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 10.8 m-85 -45.62 159.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 1.3 mpp_? -105.07 -29.96 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -165.03 163.19 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 21' ' ' ILE . 22.8 tp -45.28 -42.88 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.12 -57.7 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.6 m-20 -41.47 -62.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.2 tp -35.73 -57.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.3 tt0 -45.04 -66.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' GLU . 20.3 mtpp -35.94 -48.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.89 -53.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.87 -63.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mmt -48.28 -36.26 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.991 HD21 ' HB2' ' A' ' 58' ' ' LYS . 16.1 tp -67.21 -52.19 44.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 87' ' ' LEU . 4.6 tt -50.06 -27.41 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.88 -24.76 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -74.04 -51.51 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -16.94 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.89 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 m -63.23 -36.53 83.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.453 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.7 t80 -94.17 -55.21 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 101' ' ' ILE . 9.4 m-80 -66.48 153.44 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.23 166.59 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.547 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 35.5 mt-10 -72.57 159.52 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.08 27.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.8 t -88.16 169.92 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -51.25 -54.31 27.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.584 HD12 ' OD1' ' A' ' 95' ' ' ASN . 97.1 mt -71.35 -33.43 50.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 49.6 t80 -45.59 -68.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.88 -42.79 69.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -47.45 -37.74 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.4 p -72.66 -45.45 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.36 -30.85 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' LEU . 21.7 t -67.14 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' VAL . 33.0 mt -34.44 -39.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.44 -58.01 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.6 -26.94 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.45 HG21 ' CD2' ' A' ' 28' ' ' TYR . 14.1 t -79.78 -38.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 21' ' ' ILE . 48.5 t80 -64.44 -58.35 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -46.0 -47.49 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -71.56 -38.88 70.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.62 -30.72 5.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.39 38.47 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -19.59 36.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.3 -52.16 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.63 -49.08 57.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' LYS . 92.7 m -54.62 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.936 ' HA ' HD22 ' A' ' 19' ' ' ASN . 0.6 OUTLIER -37.64 -62.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.697 ' CD ' HD12 ' A' ' 77' ' ' LEU . 3.1 tt0 -34.25 -61.27 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt -41.7 -71.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.936 HD22 ' HA ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -47.63 -41.65 22.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . -51.46 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 77' ' ' LEU . 43.6 mt -77.72 -62.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 84' ' ' VAL . 13.1 mm -50.9 -57.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.82 -28.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -84.3 -29.97 25.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ILE . 89.6 t -79.9 -50.64 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.526 HG23 ' OG ' ' A' ' 37' ' ' SER . 98.9 mt -61.97 -40.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -66.93 -37.19 83.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -42.91 151.89 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.89 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.838 HD23 ' CG ' ' A' ' 104' ' ' ASP . 6.0 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.526 ' OG ' HG23 ' A' ' 26' ' ' ILE . 43.5 p -40.61 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 43.6 mt-10 -43.83 -63.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.669 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -66.2 -6.07 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.669 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 60.0 m-85 -114.17 21.17 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 mm -87.56 -69.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 14.0 tm0? -102.1 150.38 23.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 25.6 mt -104.67 158.23 32.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.8 Cg_endo -69.75 111.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' PRO . 59.1 m -36.49 126.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -43.75 -45.8 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -52.44 -52.69 52.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.98 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 18.9 tp -119.97 83.37 30.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.18 11.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.502 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 11.3 pt-20 -54.78 -35.62 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -52.78 -35.41 56.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -87.43 -14.8 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.41 -55.24 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -74.77 -41.36 60.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 59' ' ' PRO . 49.3 mm -72.88 125.1 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.29 -58.93 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -134.09 84.24 43.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HB3' HG21 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.77 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.4 p -93.9 158.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.625 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.4 p-10 -136.66 171.34 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.25 -37.61 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -64.27 -21.74 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.46 -52.11 5.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.0 -52.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HE3' ' CD1' ' A' ' 26' ' ' ILE . 5.6 mtmp? -62.61 -28.82 70.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.14 -21.12 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -86.6 -45.04 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.9 mt -51.05 -46.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -71.92 -22.2 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -94.0 15.64 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER 39.57 38.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -56.2 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 9.4 m-85 -46.11 171.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.57 -15.91 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -173.76 168.2 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD12 ' CD ' ' A' ' 17' ' ' GLN . 1.3 tt -53.5 -44.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.06 -55.97 4.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.513 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.2 m-20 -48.46 -41.91 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 84' ' ' VAL . 53.4 tp -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 82' ' ' LYS . 8.4 tm-20 -67.76 -60.93 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.0 mtpt -39.12 -45.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.09 -63.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 80' ' ' LEU . 94.3 t -40.11 -57.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.47 ' HE2' HG12 ' A' ' 84' ' ' VAL . 35.6 mmt -53.08 -42.98 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' HIS . 8.6 tp -59.62 -59.04 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 61' ' ' ASP . 2.8 tt -43.23 -25.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.56 -29.28 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' LEU . 6.8 t60 -75.4 -51.95 11.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -15.46 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.7 -52.83 11.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 47.9 mt-30 -61.72 -33.21 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 m -57.71 -44.92 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.0 t80 -89.72 -59.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -60.29 145.02 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.03 176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.584 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . 17.0 mt-10 -98.91 166.26 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.6 31.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 p -100.03 -174.81 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -62.2 -61.83 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 104' ' ' ASP . 46.0 mt -59.69 -58.33 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 7.1 t80 -34.31 -52.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -58.16 -44.03 87.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.838 ' CG ' HD23 ' A' ' 36' ' ' LEU . 10.3 t0 -52.54 -47.59 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -51.22 -41.95 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' A' ' 102' ' ' TYR . 2.7 mp -65.42 -48.63 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 108' ' ' LEU . 91.3 t -50.99 -62.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.664 HD21 ' CB ' ' A' ' 36' ' ' LEU . 34.0 mt -36.1 -49.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.27 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 t -45.8 -27.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.22 -44.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CE2' HG21 ' A' ' 21' ' ' ILE . 7.2 t80 -59.43 -58.45 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -46.36 -59.31 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -58.08 -16.66 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 112' ' ' PHE . . . -82.32 -62.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.7 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.4 34.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.64 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -49.98 -32.77 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -79.65 -56.16 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -48.96 -55.64 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -60.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -43.24 -46.54 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.6 mtm -61.3 -46.03 91.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -59.82 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.43 -57.88 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.55 -70.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' VAL . 8.3 mm -46.64 -65.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 22' ' ' ILE . 4.5 t70 -34.6 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' ILE . 52.9 m -78.37 -44.27 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ILE . 99.6 t -61.73 -58.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG12 ' CD1' ' A' ' 62' ' ' PHE . 86.2 mt -55.56 -49.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' TYR . 93.5 m-20 -59.95 -45.68 91.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' ASN . 31.9 t80 -37.12 141.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 7.7 ptpp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD23 ' CG ' ' A' ' 104' ' ' ASP . 5.5 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.352 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.7 p -42.35 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . 31.4 mt-10 -42.99 -61.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.65 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.6 m -65.49 -12.26 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -105.4 20.38 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 63' ' ' LYS . 17.2 mm -91.18 -74.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.5 128.79 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.37 155.98 41.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' PRO . 6.7 t -34.76 145.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' SER . 18.4 mmm-85 -37.08 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -66.16 -47.86 72.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' SER . 6.8 mm-40 -56.72 -50.09 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 3.4 tp -164.58 105.01 0.84 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.628 0.727 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 -31.46 20.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 1.1 tt0 -36.81 -63.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' GLU . 27.5 t80 -36.19 -55.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.38 -35.35 80.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.1 mt-10 -55.33 -54.45 43.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.818 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -80.03 -49.39 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.7 140.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -90.84 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.14 80.32 11.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.13 9.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.6 p -129.3 159.61 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.695 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.7 p30 -141.82 169.24 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.444 ' CD1' HG12 ' A' ' 26' ' ' ILE . 17.6 m-85 -56.79 -34.45 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 41' ' ' ILE . 19.1 mmmt -60.15 -45.51 92.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -50.88 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.2 mt -46.1 -58.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.3 mtpt -58.61 -48.89 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 17.8 tt0 -42.61 -34.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -72.5 -48.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.66 -31.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 9.0 ptp180 -88.03 -39.16 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -80.04 11.83 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 49.15 47.0 22.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -92.09 -46.25 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.41 123.81 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.35 -37.79 56.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 5.3 t -164.04 -175.05 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.79 -45.67 85.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.13 -59.78 1.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -54.79 -56.51 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 84' ' ' VAL . 50.4 tp -38.52 -48.17 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.3 -52.19 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -42.82 -41.78 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.08 -60.52 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.567 HG11 ' CD2' ' A' ' 112' ' ' PHE . 91.4 t -41.01 -45.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.454 ' HE2' HG12 ' A' ' 84' ' ' VAL . 34.1 mmt -70.28 -45.91 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -53.7 -36.86 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 61' ' ' ASP . 5.3 tt -65.58 -42.85 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 86.2 m -70.67 -51.31 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -50.64 -54.17 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -53.05 -37.2 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -52.56 -54.73 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 63.9 mt-30 -61.52 -39.09 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -51.61 -41.56 61.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.818 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.3 t80 -94.06 -59.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.404 ' OD1' HD12 ' A' ' 101' ' ' ILE . 59.8 m-80 -59.06 120.66 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.07 160.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 8.7 mp0 -75.95 160.14 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.17 26.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -87.98 -176.26 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.24 -55.72 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.4 mt -69.38 -39.9 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 58.5 t80 -37.94 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 106' ' ' ILE . 48.8 mt-10 -42.55 -58.8 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.537 ' CG ' HD23 ' A' ' 36' ' ' LEU . 4.1 t0 -39.62 -43.15 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 p -61.77 -42.95 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' GLU . 3.0 mp -66.47 -43.38 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' LEU . 19.5 t -56.54 -59.84 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 107' ' ' VAL . 46.2 mt -34.24 -54.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -60.63 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.0 t -43.37 -37.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.12 -40.9 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CD2' HG11 ' A' ' 84' ' ' VAL . 1.6 t80 -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -61.1 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -62.79 -44.21 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.46 -43.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.853 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.52 24.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -12.87 33.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -87.65 -35.54 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.8 tm? -81.7 -54.07 5.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 m -43.55 -53.64 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 35.2 tttm -57.35 -52.85 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' LYS . 49.3 tt0 -35.08 -57.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 mtm -56.74 -46.38 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.13 -49.24 76.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -41.76 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.688 ' CD1' HD11 ' A' ' 77' ' ' LEU . 28.1 mt -68.79 -67.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.645 ' CG2' HD12 ' A' ' 26' ' ' ILE . 10.8 mm -50.53 -59.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.0 t70 -35.78 -54.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.6 m -58.3 -62.04 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.6 t -48.54 -69.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' CG2' ' A' ' 22' ' ' ILE . 39.3 mt -44.08 -47.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' TYR . 6.1 m-20 -58.79 -40.75 84.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASN . 44.1 t80 -34.33 135.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 p -56.14 -20.2 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -46.61 -59.97 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.2 m -57.38 -12.75 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 50.8 m-85 -105.86 -15.18 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -53.12 -62.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -129.66 148.21 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -130.62 164.08 44.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.69 119.82 6.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.1 m -57.89 177.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HG2' ' CD2' ' A' ' 53' ' ' TYR . 42.7 mtt-85 -52.91 -42.51 65.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.08 -56.34 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -58.46 -61.41 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 7.2 tp -125.44 94.28 43.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 53.4 Cg_endo -69.82 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 5.0 pt-20 -42.27 -42.33 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -53.85 -40.77 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 27.5 m-85 -81.47 -2.2 48.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.86 -52.04 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.624 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -80.57 -35.98 33.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.7 mm -79.17 139.38 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -44.61 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.776 ' HB2' HD21 ' A' ' 86' ' ' LEU . 84.5 mttt -133.06 83.41 51.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.64 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.56 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.1 p -99.09 165.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' HG22 ' A' ' 60' ' ' VAL . 55.1 p-10 -146.56 155.57 42.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CD1' HD11 ' A' ' 26' ' ' ILE . 11.0 m-85 -48.83 -38.92 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 13.6 mtpp -54.59 -45.11 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -73.15 -46.58 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -49.96 -40.17 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -79.23 -38.75 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.9 tm-20 -49.65 -68.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.469 ' HG3' ' CE2' ' A' ' 74' ' ' TYR . 6.1 ptm180 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt -44.98 -46.52 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.96 -21.38 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' HIS . 9.1 m-80 -101.64 21.91 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 71' ' ' ASN . 2.4 m80 35.21 42.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -82.6 -48.92 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 3.0 m-85 -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -112.73 -32.36 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 t -166.32 168.99 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.688 HD11 ' CD1' ' A' ' 21' ' ' ILE . 63.8 tp -57.11 -57.92 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . . . -38.09 -30.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' LEU . 59.8 m-20 -70.09 -46.38 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.4 tp -50.79 -32.4 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' LYS . 36.3 tt0 -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.6 mtmt -36.03 -63.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.1 p-10 -55.57 -60.92 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 80' ' ' LEU . 74.5 t -38.95 -51.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mmt -63.59 -36.16 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 58' ' ' LYS . 14.3 tp -67.99 -59.99 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.4 tt -37.33 -44.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' CYS . . . . . 0.473 ' N ' HD23 ' A' ' 87' ' ' LEU . 60.0 m -71.87 -43.9 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' GLN . 6.4 t-80 -58.2 -56.21 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' HIS . 91.1 m-20 -37.2 -41.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.46 -47.36 82.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' HIS . 76.8 mt-30 -57.98 -13.93 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.4 m -96.86 -33.93 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.3 t80 -93.16 -57.12 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.446 ' OD1' HG21 ' A' ' 101' ' ' ILE . 13.3 m-80 -64.06 135.96 56.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.831 HD13 ' N ' ' A' ' 97' ' ' GLU . 0.5 OUTLIER -58.17 150.61 21.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.831 ' N ' HD13 ' A' ' 96' ' ' LEU . 18.8 mt-10 -66.96 175.69 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.77 28.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.0 t -100.36 175.57 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -66.09 -49.76 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 104' ' ' ASP . 38.0 mt -67.76 -62.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.502 ' O ' HD12 ' A' ' 106' ' ' ILE . 3.3 t80 -39.22 -44.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.469 ' HA ' HD13 ' A' ' 106' ' ' ILE . 16.5 mt-10 -68.56 -37.13 79.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.542 ' OD1' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -56.85 -40.33 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.7 p -59.07 -37.97 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.2 mp -61.93 -24.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' LEU . 94.4 t -83.51 -61.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.6 mt -35.44 -43.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.78 -52.55 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -30.58 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -80.54 -32.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.659 ' CD1' HG11 ' A' ' 84' ' ' VAL . 40.7 t80 -68.47 -58.9 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -48.16 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -68.2 -38.65 82.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.59 -45.28 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 165.9 29.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -46.12 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -56.73 -21.38 27.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.14 -55.11 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.9 m -52.04 -49.88 62.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -50.11 -60.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' HD23 ' A' ' 77' ' ' LEU . 28.1 tt0 -40.63 -46.62 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 mtt -61.04 -49.03 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 25.9 m-20 -62.81 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.33 -53.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -56.66 -64.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.597 ' CG2' HD12 ' A' ' 26' ' ' ILE . 19.2 mm -52.09 -67.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -36.46 -32.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ILE . 94.1 m -81.4 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.17 -47.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 ' CG2' ' A' ' 22' ' ' ILE . 74.4 mt -66.74 -46.13 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 1.3 t80 -103.39 133.48 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.335 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -92.4 -31.4 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 23.9 mt-10 -42.89 -51.63 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 40' ' ' PHE . 3.4 m -54.88 -30.58 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' HE2' ' HB2' ' A' ' 91' ' ' ALA . 80.9 m-85 -91.48 -22.72 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 62' ' ' PHE . 26.7 mm -49.59 -49.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -127.5 109.29 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -102.17 164.43 15.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.77 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 m -62.45 -177.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -61.34 -47.04 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.42 -54.84 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.18 -54.14 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 23.5 tp -132.84 85.88 45.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -33.0 17.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.0 pt-20 -62.81 -28.82 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.578 ' CE1' HG13 ' A' ' 56' ' ' ILE . 87.3 t80 -61.82 -33.05 73.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 9.0 m-85 -83.42 -14.41 52.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 69.8 mm-40 -72.6 -45.79 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -88.1 -42.39 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' OD1' ' A' ' 90' ' ' ASN . 48.9 mm -69.9 112.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -49.66 -67.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -131.09 93.49 30.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.4 Cg_endo -69.83 110.07 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.6 p -118.84 162.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' HG22 ' A' ' 60' ' ' VAL . 4.8 p-10 -129.53 -177.49 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.653 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.0 m-85 -81.6 -27.21 34.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -70.61 -26.1 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -83.92 -51.64 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 62' ' ' PHE . 28.1 mt -43.07 -36.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.17 -35.68 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.24 -33.53 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -78.26 -36.21 47.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.67 -46.99 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -76.0 -24.04 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -93.92 18.04 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 41.36 34.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -77.38 -44.11 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.38 146.66 39.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -102.26 -23.65 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 p -167.2 175.01 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 77' ' ' LEU . 1.6 tm? -66.73 -42.47 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.82 4.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LEU . 8.1 t0 -61.69 -61.46 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 33.3 tp -36.28 -33.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 79' ' ' ASP . 15.9 tt0 -65.51 -57.77 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -40.72 -52.44 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.16 -70.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 112' ' ' PHE . 80.1 t -38.29 -57.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.5 mmt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' LEU . 12.7 tp -61.63 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 61' ' ' ASP . 5.4 tt -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.51 -41.92 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -55.33 -34.54 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.61 ' OD1' HG23 ' A' ' 56' ' ' ILE . 74.0 m-20 -64.29 -43.21 95.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.602 ' HB2' ' HE2' ' A' ' 40' ' ' PHE . . . -53.66 -57.68 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -50.27 -22.07 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.5 m -81.05 -56.44 4.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.681 ' CD2' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -74.85 -54.4 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASN . . . . . 0.543 ' OD1' HD12 ' A' ' 101' ' ' ILE . 27.8 m-80 -65.05 157.68 27.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -84.18 165.14 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' SER . 17.4 mt-10 -65.77 161.84 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.55 31.66 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 42.0 t -93.6 159.4 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.336 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -41.5 -59.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.543 HD12 ' OD1' ' A' ' 95' ' ' ASN . 81.1 mt -66.61 -27.91 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE2' HD11 ' A' ' 106' ' ' ILE . 21.6 t80 -61.0 -67.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.707 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.4 mt-10 -42.65 -34.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -66.19 -45.0 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -56.19 -41.33 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.51 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -69.45 -33.67 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 103' ' ' GLU . 91.3 t -71.27 -62.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' VAL . 11.2 mt -36.72 -51.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.07 -53.86 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.1 t -52.42 -32.27 38.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' A' ' 28' ' ' TYR . 12.4 t -75.48 -32.35 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.589 ' CD1' HG11 ' A' ' 84' ' ' VAL . 60.5 t80 -65.24 -49.3 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -67.1 -45.32 77.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.0 t -58.89 -31.89 69.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.93 -39.07 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -139.82 139.12 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -146.58 161.46 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 72.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -50.27 156.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -94.33 52.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.1 -86.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -89.01 144.14 32.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.746 . . . . 0.0 110.868 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 133.45 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -40.51 144.69 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 167.51 24.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.96 32.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -75.7 -35.37 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.696 HD21 ' HE2' ' A' ' 18' ' ' MET . 8.0 tt -81.96 -59.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 14' ' ' LEU . 39.4 m -46.75 -49.75 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -53.82 -50.01 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -48.09 -52.46 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.696 ' HE2' HD21 ' A' ' 14' ' ' LEU . 6.7 mtt -54.96 -52.99 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -54.01 -57.34 11.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.01 -61.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.738 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 71.9 mt -47.49 -73.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 25' ' ' VAL . 17.2 mm -48.35 -65.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 37.7 t70 -35.59 -35.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ILE . 71.0 m -82.57 -42.56 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ILE . 50.4 t -63.43 -50.23 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 22' ' ' ILE . 89.9 mt -65.9 -32.77 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 97.6 m-20 -83.07 -23.25 33.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.4 t80 -54.4 134.91 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.0 152.45 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.36 -54.87 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.08 -175.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -80.79 49.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.03 -33.6 3.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -71.29 101.02 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -68.55 166.25 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.492 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -105.09 -43.54 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -49.52 -19.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -52.03 -50.87 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG21 HD12 ' A' ' 101' ' ' ILE . 2.5 m -75.69 3.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 108' ' ' LEU . 97.0 m-85 -120.57 14.25 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.604 HG22 ' HG3' ' A' ' 42' ' ' GLN . 34.6 mm -82.83 -69.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.604 ' HG3' HG22 ' A' ' 41' ' ' ILE . 9.8 mt-30 -107.67 153.75 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 14.2 mt -113.47 159.05 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.77 144.25 53.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -62.41 172.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -79.92 -26.73 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -77.05 -54.95 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.62 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 56.9 tp -124.51 81.73 59.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.84 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 3.2 pt-20 -40.67 -40.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' HG13 ' A' ' 56' ' ' ILE . 64.0 t80 -48.46 -44.14 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 46' ' ' ARG . 95.2 m-85 -77.54 -15.71 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 53.0 mm-40 -74.04 -49.11 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -82.04 -48.21 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.452 HG13 ' CE1' ' A' ' 52' ' ' TYR . 6.0 mm -65.55 132.94 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -76.64 -62.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -127.22 82.58 67.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.3 p -92.69 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' HG22 ' A' ' 60' ' ' VAL . 1.8 p-10 -123.47 -175.22 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' HA ' HD12 ' A' ' 65' ' ' ILE . 3.5 m-85 -84.1 -39.3 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' NZ ' ' HG2' ' A' ' 42' ' ' GLN . 19.5 mtmt -57.63 -31.82 66.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -77.39 -46.69 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 62' ' ' PHE . 38.5 mt -53.8 -40.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -74.4 -40.88 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.23 -28.48 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -72.12 -45.76 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.1 mt -55.52 -39.45 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -80.9 -12.02 59.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -101.26 12.8 36.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 52.2 m80 50.58 30.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -74.83 -66.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -50.2 128.74 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -84.3 -43.19 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.4 t -138.61 167.11 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.3 tp -52.88 -47.83 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.59 -52.71 3.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.18 -45.82 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 84' ' ' VAL . 29.7 tp -57.0 -41.51 78.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.85 -42.18 98.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -44.84 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.3 m-20 -77.78 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.585 HG12 ' HE2' ' A' ' 85' ' ' MET . 93.0 t -36.82 -54.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.585 ' HE2' HG12 ' A' ' 84' ' ' VAL . 39.0 mmt -62.33 -33.91 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -67.04 -53.26 32.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.573 HD23 ' C ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -50.58 -30.87 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.66 -55.56 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -48.14 -50.07 30.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.61 -40.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 94' ' ' PHE . . . -66.04 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -42.94 -24.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 91' ' ' ALA . 62.5 m -81.79 -39.87 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.5 t80 -86.33 -57.16 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.719 ' OD1' HG21 ' A' ' 101' ' ' ILE . 11.4 m120 -69.5 132.35 46.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.17 162.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 26.7 mt-10 -70.1 169.3 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.12 32.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -97.44 -177.0 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -50.35 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.719 HG21 ' OD1' ' A' ' 95' ' ' ASN . 11.5 mm -74.19 -27.85 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.629 ' CE2' HD11 ' A' ' 106' ' ' ILE . 54.2 t80 -58.29 -72.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.567 ' HA ' HD13 ' A' ' 106' ' ' ILE . 44.1 mt-10 -36.22 -51.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.434 ' CG ' HD23 ' A' ' 36' ' ' LEU . 6.2 m-20 -45.31 -57.38 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -44.09 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 106' ' ' ILE . 5.3 mp -58.47 -40.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.46 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 40' ' ' PHE . 29.5 mt -40.13 -38.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -64.64 -52.05 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -54.16 -34.32 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.445 HG21 ' CG ' ' A' ' 28' ' ' TYR . 12.4 t -73.44 -38.24 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 21' ' ' ILE . 87.5 t80 -57.08 -58.34 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -56.73 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -49.3 -50.61 38.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -45.19 -54.78 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ALA . 4.9 mtp-105 -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -91.13 -71.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -62.8 98.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -148.22 -158.22 7.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -18.92 36.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -52.43 102.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.2 t -123.75 100.28 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -127.85 -54.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -174.13 154.41 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.04 154.31 9.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -131.47 106.87 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -172.24 141.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.15 161.14 14.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -71.65 152.06 93.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.91 13.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -42.11 151.08 0.36 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.68 20.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -17.6 37.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -86.4 -33.68 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' A' ' 18' ' ' MET . 2.6 tm? -85.37 -56.17 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.2 m -48.18 -53.68 16.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLN . 39.8 mmtt -52.79 -46.42 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 21.7 tt0 -37.68 -61.0 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.538 ' HG3' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -48.02 -52.25 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -56.83 -58.06 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.22 -45.14 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 77' ' ' LEU . 77.4 mt -66.91 -72.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' HD12 ' A' ' 26' ' ' ILE . 13.1 mm -44.18 -58.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.1 m-20 -34.65 -55.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -55.36 24.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 89.8 t -47.54 -59.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.618 HD12 ' CG2' ' A' ' 22' ' ' ILE . 97.0 mt -61.31 -41.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -96.9 41.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.71 143.76 32.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -104.17 136.25 44.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -106.98 -36.25 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -111.26 -73.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 m -119.81 -47.72 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.69 -40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -41.4 134.72 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -92.78 127.43 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -64.5 -21.99 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -61.32 -9.17 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.43 -44.06 62.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.7 m -83.37 -0.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -113.67 3.41 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.608 HG22 ' HG3' ' A' ' 42' ' ' GLN . 4.9 mm -74.7 -74.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 41' ' ' ILE . 15.8 mt-30 -99.42 131.96 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.6 mt -91.3 157.46 42.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.78 126.97 13.91 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -58.79 159.3 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -66.27 -48.04 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -56.1 -42.0 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -71.01 -56.75 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -133.33 80.88 57.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -33.92 15.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 4.9 pt-20 -50.02 -36.41 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.584 ' CE1' HG13 ' A' ' 56' ' ' ILE . 76.2 t80 -59.49 -37.33 77.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -74.41 -16.63 60.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.55 -54.09 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.724 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -73.85 -47.13 40.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.584 HG13 ' CE1' ' A' ' 52' ' ' TYR . 4.5 mm -67.71 155.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' N ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -113.17 -45.36 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.743 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.8 mtmm -127.19 81.72 69.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.08 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.1 p -101.12 159.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 60' ' ' VAL . 2.9 m-20 -125.99 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.5 -18.07 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -82.43 -31.76 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -70.9 -48.54 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.02 -47.39 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.613 ' HA ' HD12 ' A' ' 69' ' ' ILE . 50.6 mtmt -68.32 -46.34 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 45.4 tt0 -39.5 -26.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' LYS . 1.3 mpt_? -86.95 -45.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 66' ' ' LYS . 66.6 mt -49.84 -51.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -71.31 -19.66 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 84.8 m-20 -99.12 7.27 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 45.44 50.47 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -93.69 -27.08 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -77.43 131.28 37.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.5 -38.23 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.9 m -153.42 164.62 37.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD11 HD12 ' A' ' 21' ' ' ILE . 13.5 tp -56.55 -42.33 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.86 -25.78 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.97 -53.51 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 84' ' ' VAL . 26.1 tp -39.73 -44.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.9 tt0 -54.94 -60.91 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' GLU . 31.9 mttm -35.93 -40.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.46 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 80' ' ' LEU . 15.0 t -44.33 -57.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.7 mmt -54.22 -37.79 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 58' ' ' LYS . 18.0 tp -63.37 -51.82 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 87' ' ' LEU . 2.8 tt -51.6 -30.58 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.19 -38.6 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -62.93 -42.82 99.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -51.16 -38.45 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.99 -26.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 m -75.85 -37.58 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.724 ' CD2' HD11 ' A' ' 55' ' ' LEU . 3.3 t80 -91.06 -57.82 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' HD12 ' A' ' 101' ' ' ILE . 14.9 m-80 -62.21 143.13 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 96' ' ' LEU . 3.9 mm? -64.77 166.29 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 25.3 mt-10 -71.58 162.89 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.26 33.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -95.42 168.18 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -46.66 -61.89 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.451 HD12 ' OD1' ' A' ' 95' ' ' ASN . 43.4 mt -64.88 -42.79 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.729 ' O ' HD12 ' A' ' 106' ' ' ILE . 18.6 t80 -42.73 -66.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 107' ' ' VAL . 23.4 mt-10 -40.1 -45.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -55.92 -57.57 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.6 p -43.26 -42.62 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 102' ' ' TYR . 5.2 mp -68.32 -44.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.8 t -57.7 -60.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.1 mt -35.61 -49.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.35 -62.59 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.403 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 39.9 t -46.1 -32.55 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.44 -42.33 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.617 ' CE1' HG21 ' A' ' 21' ' ' ILE . 60.7 t80 -52.54 -58.38 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 110' ' ' SER . 40.1 mtmt -52.93 -52.77 56.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -53.96 -33.03 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -78.96 -15.82 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -90.76 -49.12 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.34 -25.43 67.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -68.06 106.56 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -86.07 -160.64 34.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 122' ' ' SER . 53.7 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 m -54.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' PRO . 30.3 p -119.55 149.44 41.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -86.84 7.87 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 t -119.54 119.91 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.66 -106.42 0.61 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -58.9 93.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -120.64 129.79 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 167.96 -69.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.1 t -35.75 143.76 0.26 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.884 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 146.83 61.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -71.26 151.78 94.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.26 28.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.53 26.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -53.54 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.515 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 8.0 tt -66.79 -50.49 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -52.48 -56.02 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -48.51 -48.48 38.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -44.92 -52.73 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.515 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 40.1 mtt -49.59 -51.18 39.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -57.96 -52.52 65.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -47.37 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.612 ' CD1' HD11 ' A' ' 77' ' ' LEU . 61.2 mt -63.4 -67.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CG2' HD12 ' A' ' 26' ' ' ILE . 9.9 mm -48.08 -62.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 4.5 t70 -37.08 -59.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -34.47 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ILE . 47.7 t -70.21 -65.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 ' CG2' ' A' ' 22' ' ' ILE . 97.1 mt -55.58 -43.2 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 2.3 m-20 -63.46 -36.48 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.62 149.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -136.52 151.08 49.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.599 ' HB2' HD21 ' A' ' 36' ' ' LEU . 1.7 t70 -94.36 -71.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -74.75 -174.95 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -75.94 48.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.96 -55.08 0.47 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -43.12 161.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -131.58 154.19 49.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 30' ' ' ASP . 2.5 mt -92.05 -58.97 2.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 p -44.56 -22.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 9.4 mm-40 -47.21 -48.6 23.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.477 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 12.6 m -81.74 -5.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 58.2 m-85 -115.29 13.18 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG22 ' HG3' ' A' ' 42' ' ' GLN . 24.2 mm -65.59 -75.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HG3' HG22 ' A' ' 41' ' ' ILE . 66.9 mt-30 -106.12 165.57 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.25 155.77 40.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.4 54.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' GLU . 43.5 m -73.1 122.92 22.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' SER . 20.1 ttp180 -36.31 -55.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.58 -42.57 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' SER . 31.6 mm-40 -67.86 -59.13 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 39.4 tp -129.44 77.04 78.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' GLU . 5.9 pt-20 -41.22 -49.36 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 56' ' ' ILE . 25.1 t80 -36.92 -44.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 59' ' ' PRO . 81.0 m-85 -70.12 -38.72 75.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' GLU . 7.1 mm-40 -48.38 -51.3 27.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -77.27 -48.77 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 52' ' ' TYR . 31.6 mm -69.59 117.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -67.24 -68.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG3' HD21 ' A' ' 86' ' ' LEU . 16.3 pttm -117.02 89.13 28.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 54.0 Cg_endo -69.77 151.22 68.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 87' ' ' LEU . 8.4 p -158.06 153.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' O ' HD12 ' A' ' 65' ' ' ILE . 4.6 p-10 -131.4 -175.22 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -74.37 -41.65 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -49.38 -50.83 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 61' ' ' ASP . 34.9 mt -47.86 -48.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.1 mtpp -65.45 -31.18 72.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -59.44 -53.06 62.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 38.8 mtp85 -47.19 -43.81 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -57.84 -57.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -64.77 -18.12 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' HIS . 35.3 m-20 -99.35 18.97 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' ASN . 82.6 m-70 36.08 40.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -91.05 -38.25 12.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 6.4 m-85 -57.96 110.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -55.31 -40.25 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -163.88 163.01 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.612 HD11 ' CD1' ' A' ' 21' ' ' ILE . 12.2 tp -49.23 -44.69 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.23 -49.44 6.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 m-20 -54.43 -54.28 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 50.6 tp -35.02 -50.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -51.67 -55.93 16.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -42.59 -46.87 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.18 -64.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.629 HG11 ' CD2' ' A' ' 112' ' ' PHE . 86.1 t -41.77 -56.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mmt -55.45 -39.73 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD21 ' HG3' ' A' ' 58' ' ' LYS . 26.3 tp -63.45 -42.17 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.496 ' HB2' HG13 ' A' ' 60' ' ' VAL . 3.0 tt -55.63 -41.75 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 45.2 m -68.57 -52.15 34.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ASN . 20.9 t60 -45.1 -54.47 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' HIS . 87.6 m-20 -37.88 -45.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.85 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -43.73 -29.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -78.75 -47.83 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 1.7 t80 -70.48 -55.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.32 164.39 22.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -88.87 -179.0 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 10.7 mt-10 -73.0 164.2 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.93 31.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.4 t -92.92 167.7 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -49.19 -59.83 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -70.63 -37.54 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 22.3 t80 -42.36 -69.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -39.4 -51.68 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.09 -54.3 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 p -51.83 -44.0 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.509 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.1 mp -62.73 -48.44 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.2 t -57.31 -60.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 36' ' ' LEU . 90.9 mt -34.61 -48.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.36 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 t -45.47 -36.85 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.9 t -68.57 -51.14 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.629 ' CD2' HG11 ' A' ' 84' ' ' VAL . 32.2 t80 -42.93 -62.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -42.88 -62.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -44.02 -42.58 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -62.74 -58.96 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -47.8 -52.19 19.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.24 -72.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -49.37 107.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.58 152.41 21.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.6 Cg_endo -69.81 -4.4 13.98 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 120' ' ' PRO . 62.3 m -35.76 133.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.7 m -72.46 125.87 28.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -133.42 141.64 47.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -123.92 142.1 51.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.37 -174.26 13.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.44 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -54.26 135.81 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -75.53 101.83 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.91 -164.21 52.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -97.25 142.84 25.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.59 5.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -52.06 147.13 13.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.83 20.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.4 20.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.19 -56.89 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -47.81 -57.24 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -49.41 -59.84 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -44.63 -50.7 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.6 mtm -54.47 -59.59 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -53.26 -57.92 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB1' ' HD3' ' A' ' 120' ' ' PRO . . . -39.83 -39.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 25' ' ' VAL . 52.7 mt -71.18 -56.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.453 HG21 ' HG2' ' A' ' 66' ' ' LYS . 8.8 mm -63.45 -61.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.7 t70 -34.38 -45.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.8 m -67.74 -57.31 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 21' ' ' ILE . 97.3 t -46.38 -59.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.608 HG23 ' OG ' ' A' ' 37' ' ' SER . 96.4 mt -59.1 -39.58 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 75.1 m-20 -98.75 40.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 3.4 t80 -109.6 140.24 43.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -101.31 144.13 30.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -56.65 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -130.8 -68.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' GLY . 3.5 m -109.46 78.87 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 35.92 40.07 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -95.2 126.18 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.78 143.38 44.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 104' ' ' ASP . 7.1 mt -104.67 -53.11 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.608 ' OG ' HG23 ' A' ' 26' ' ' ILE . 53.3 p -47.47 -20.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -43.24 -63.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -66.36 -8.33 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 49.8 m-85 -117.89 21.13 13.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG22 ' HD2' ' A' ' 63' ' ' LYS . 14.7 mm -68.93 -74.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' N ' HG22 ' A' ' 41' ' ' ILE . 8.7 pt20 -112.83 176.78 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.7 mt -129.37 157.02 77.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -41.74 147.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -60.53 -52.3 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.34 -59.6 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 26.6 tp -115.28 82.01 8.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.656 0.741 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -37.09 9.5 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 8.1 pt-20 -52.53 -45.34 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -48.03 -40.49 22.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.468 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 11.0 m-85 -79.66 -21.72 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.79 -54.38 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -72.81 -47.13 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -68.42 147.09 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -93.81 -46.47 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.733 ' CB ' HD21 ' A' ' 86' ' ' LEU . 25.0 mmmt -132.23 84.51 52.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 54.4 Cg_endo -69.7 83.61 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG21 ' OD1' ' A' ' 83' ' ' ASP . 5.2 p -107.15 165.21 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.651 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.8 p30 -145.86 -179.24 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 9.4 m-85 -68.58 -52.07 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HD2' HG22 ' A' ' 41' ' ' ILE . 18.3 mtpp -42.87 -41.26 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' ILE . 4.9 mmmm -72.53 -62.88 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.626 HG23 HD12 ' A' ' 80' ' ' LEU . 58.1 mt -38.03 -42.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HG2' HG21 ' A' ' 22' ' ' ILE . 6.2 mtpm? -72.86 -43.42 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.79 -46.44 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' CD ' ' HE3' ' A' ' 73' ' ' LYS . 69.9 mtt180 -59.33 -46.83 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.9 mt -52.37 -50.21 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.22 -25.64 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' HIS . 44.1 m-20 -94.45 20.1 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ASN . 7.6 m-70 36.42 35.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE3' ' CD ' ' A' ' 68' ' ' ARG . 6.8 ttpp -79.07 -51.55 9.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 5.3 m-85 -49.36 164.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -119.01 -36.83 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.3 m -160.77 156.38 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -41.48 -43.52 2.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.0 -39.88 3.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.29 -46.59 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.3 tp -62.52 -40.2 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.12 -61.26 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -54.09 -29.49 44.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.663 ' OD1' HG21 ' A' ' 60' ' ' VAL . 16.8 t0 -77.36 -38.26 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 80' ' ' LEU . 98.5 t -68.5 -54.19 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.8 mmt -57.91 -28.87 64.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.733 HD21 ' CB ' ' A' ' 58' ' ' LYS . 21.3 tp -73.54 -37.31 65.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.7 tt -61.27 -23.85 65.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.28 -51.43 7.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' ASN . 11.7 t-80 -53.29 -54.04 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' HIS . 89.6 m-20 -36.37 -37.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.58 -53.74 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 mt-30 -50.63 -18.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.0 m -89.85 -53.55 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.675 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.8 t80 -83.44 -59.92 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.41 ' CG ' HG21 ' A' ' 101' ' ' ILE . 25.0 m-80 -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.49 156.94 9.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 17.5 mt-10 -94.85 157.97 15.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.71 29.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 m -110.06 178.88 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -44.89 -67.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.41 HG21 ' CG ' ' A' ' 95' ' ' ASN . 58.9 mt -49.68 -53.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 16.3 t80 -45.35 -60.48 2.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 107' ' ' VAL . 6.3 mm-40 -48.45 -44.44 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.536 ' OD1' HD22 ' A' ' 36' ' ' LEU . 38.9 t0 -57.86 -51.92 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.2 p -48.76 -41.65 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.7 mp -68.55 -37.25 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.2 t -59.52 -53.19 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' VAL . 77.8 mt -34.31 -55.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -41.7 -66.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t -41.98 -35.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.38 -48.2 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.493 ' CD2' HG11 ' A' ' 84' ' ' VAL . 31.3 t80 -53.77 -46.21 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -61.59 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.2 t -42.59 -37.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -69.44 -57.32 5.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -50.8 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -56.74 -50.82 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.0 t -126.52 108.22 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 120' ' ' PRO . . . -103.2 -145.05 14.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.442 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.419 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.78 -179.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.7 t -151.59 170.84 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 35.8 m 37.25 47.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -96.3 134.81 38.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -142.74 155.99 44.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.51 -136.32 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 p -49.13 139.88 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.804 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -140.65 128.92 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.42 159.77 26.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.443 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.7 m -114.0 143.44 29.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.25 11.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -96.75 149.17 35.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.77 20.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -12.94 34.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -91.92 -20.09 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -96.02 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -43.99 -38.55 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLN . 1.7 tmtp? -67.76 -51.52 48.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' LYS . 13.0 tt0 -34.49 -54.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 mtt -61.81 -53.74 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -47.5 -49.18 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -59.31 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -53.85 -60.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 8.7 mm -56.14 -67.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -38.68 -38.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.488 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 33.2 m -64.19 -51.33 64.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . 58.9 t -65.92 -58.24 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 48.5 mt -41.82 -25.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' HA ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -99.76 -32.52 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.7 t80 -39.7 132.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -121.22 144.0 48.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.31 159.01 30.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.5 m -39.83 -35.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.8 p -56.24 -45.83 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.21 33.16 0.98 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 18.9 ttp-105 -136.73 145.35 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 110.905 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.59 100.73 10.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -50.81 -34.32 27.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 p -42.75 -24.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 16.4 mt-10 -43.38 -63.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.96 -8.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.67 ' CD2' HD11 ' A' ' 108' ' ' LEU . 85.7 m-85 -111.03 20.05 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 41' ' ' ILE . 8.7 mm -83.5 -57.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.456 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 17.5 pt20 -131.96 163.68 27.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 59' ' ' PRO . 16.2 mt -110.42 159.53 31.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.1 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ARG . 11.7 t -42.79 125.72 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.3 ttm180 -35.49 -42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.12 -52.61 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -59.3 -51.87 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 tp -132.92 79.7 62.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.36 12.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.85 -42.0 71.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.488 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 11.6 t80 -53.77 -27.5 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -87.35 -17.59 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.25 -57.97 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.75 -38.42 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 26.2 mm -75.27 119.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -61.15 -59.74 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 21.1 mttm -132.52 97.35 17.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.689 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HB2' HD13 ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.8 84.01 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.17 149.94 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.0 m-20 -140.47 168.55 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -52.34 -30.0 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 12.6 mtpp -65.29 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -86.08 -48.27 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -49.59 -36.22 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 69' ' ' ILE . 4.5 mmtp -78.85 -41.92 28.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.27 -59.89 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 22.9 mtt180 -43.74 -52.41 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 66' ' ' LYS . 65.4 mt -48.75 -45.82 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -70.24 -25.5 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -98.19 10.27 40.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 43.56 48.12 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -87.38 -37.35 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 20.6 m-85 -66.42 157.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -97.5 -37.45 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.9 p -168.39 159.47 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 tp -38.26 -37.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.7 -47.45 9.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -62.56 -58.03 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' ASP . 11.6 tp -34.42 -51.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.36 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -42.14 -44.54 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' A' ' 22' ' ' ILE . 79.8 t -69.02 -28.15 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -47.49 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.1 -57.64 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -38.53 -43.87 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.532 ' N ' HD23 ' A' ' 87' ' ' LEU . 88.6 m -67.1 -63.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -40.38 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.426 ' HB3' HD12 ' A' ' 56' ' ' ILE . 80.1 m-20 -37.33 -50.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -52.04 -45.13 64.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.406 HE21 ' CD1' ' A' ' 106' ' ' ILE . 70.6 mt-30 -70.02 -30.58 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.1 m -67.0 -32.15 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.3 t80 -94.47 -53.19 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.96 158.0 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.01 169.67 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 99' ' ' SER . 42.9 mp0 -79.2 169.44 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.4 30.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.2 t -94.16 165.45 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -53.35 -45.68 69.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.5 mt -75.86 -49.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.514 ' O ' HD12 ' A' ' 106' ' ' ILE . 54.9 t80 -37.25 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.57 -44.51 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.21 -59.27 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 p -45.06 -43.16 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 102' ' ' TYR . 3.1 mp -64.69 -34.39 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 110' ' ' SER . 99.2 t -72.5 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.67 HD11 ' CD2' ' A' ' 40' ' ' PHE . 42.7 mt -38.43 -36.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -66.66 -44.32 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' VAL . 1.7 t -62.1 -30.99 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.45 HG21 ' CG ' ' A' ' 28' ' ' TYR . 18.9 t -72.52 -43.35 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.482 ' CD2' HG11 ' A' ' 84' ' ' VAL . 22.5 t80 -58.16 -55.04 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.48 -52.08 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -56.2 -60.99 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.85 -31.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttt-85 -78.89 -52.44 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -42.54 -52.19 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.2 t -85.75 31.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 41.27 -101.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.0 m -71.39 162.95 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 t -104.89 -51.45 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -165.75 169.83 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -100.97 155.58 17.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.13 -52.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -105.59 -54.12 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -48.61 -59.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.18 150.56 22.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -71.74 143.75 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.2 Cg_endo -69.79 137.82 36.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 9' ' ' PRO . 4.3 m-20 -38.03 139.8 0.6 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.09 43.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 -34.37 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' ' HE3' ' A' ' 18' ' ' MET . 2.1 tm? -82.6 -56.1 4.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -44.24 -42.6 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLN . 33.4 mttm -67.33 -57.23 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.7 tp60 -34.8 -57.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.52 ' HE3' ' CD1' ' A' ' 14' ' ' LEU . 8.0 mtm -54.2 -53.2 56.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -52.23 -49.71 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.64 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.515 HD11 HD11 ' A' ' 77' ' ' LEU . 38.7 mt -66.46 -66.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASP . 10.1 mm -48.21 -59.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ILE . 23.7 t0 -33.84 -53.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -63.42 -46.64 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.29 -60.27 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 22' ' ' ILE . 56.5 mt -56.88 -35.6 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.23 44.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD2' HG21 ' A' ' 111' ' ' VAL . 33.0 t80 -103.66 134.05 47.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' CB ' ' HA2' ' A' ' 33' ' ' GLY . 15.4 pttp -90.96 141.57 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.619 ' HB2' HD11 ' A' ' 36' ' ' LEU . 35.8 t70 -109.26 -50.55 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -123.44 -74.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -112.86 49.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' ARG . . . 79.68 -41.56 2.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.456 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.9 tpt180 -35.44 108.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' CG ' ' HG3' ' A' ' 38' ' ' GLU . 9.8 pt20 -72.75 112.78 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -54.17 -33.72 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 82.1 p -48.09 -19.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG3' ' CG ' ' A' ' 35' ' ' GLN . 29.7 mt-10 -49.01 -57.79 5.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.92 -3.1 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.47 18.38 16.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mm -88.22 -60.53 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.58 158.65 16.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.2 mt -127.07 156.19 74.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.65 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -41.48 146.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -54.21 -25.52 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -72.56 -56.67 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.31 -63.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 15.0 tp -119.41 83.49 26.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -41.85 3.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 16.7 pt-20 -47.88 -48.84 31.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CZ ' HG13 ' A' ' 56' ' ' ILE . 83.0 t80 -42.48 -48.57 5.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.61 -31.04 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' GLU . 73.3 mt-10 -60.39 -57.64 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.97 -44.17 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.483 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 19.1 mm -67.14 126.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -65.1 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 19.5 mtpt -132.49 93.18 25.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' LYS . 53.6 Cg_endo -69.78 91.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.918 HG11 ' OD1' ' A' ' 83' ' ' ASP . 12.7 p -104.64 133.84 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' PHE . 50.5 p-10 -111.82 148.33 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 6.8 m-85 -36.74 -63.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' PHE . 13.5 mtpp -34.58 -58.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 67' ' ' GLU . 16.1 tppt? -50.52 -59.2 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.5 mt -41.8 -37.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.97 -37.33 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' LYS . 10.1 tt0 -49.14 -51.69 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' ASN . 39.4 mtp85 -53.01 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.3 mt -38.44 -40.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -80.49 -34.09 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' ARG . 39.3 m-20 -87.59 22.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.68 -37.78 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 80' ' ' LEU . 3.8 m-85 -64.63 145.31 56.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -99.49 -34.93 10.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 m -163.59 157.72 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD11 HD11 ' A' ' 21' ' ' ILE . 1.4 tt -42.48 -51.57 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.28 -48.04 3.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 -55.51 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 74' ' ' TYR . 25.2 tp -41.44 -49.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.9 tt0 -49.87 -59.23 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 28.0 mtpp -34.41 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.918 ' OD1' HG11 ' A' ' 60' ' ' VAL . 10.4 t0 -73.7 -60.04 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 112' ' ' PHE . 85.3 t -40.08 -50.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.54 -32.81 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.4 tm? -67.53 -41.46 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -60.36 -37.9 82.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.408 ' N ' HD23 ' A' ' 87' ' ' LEU . 80.0 m -71.47 -58.4 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -46.56 -47.21 19.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -52.79 -36.35 58.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.06 -59.71 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -52.83 -29.78 29.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.5 m -59.56 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.548 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.0 t80 -78.71 -53.44 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.03 165.51 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 4.2 mm? -92.27 162.85 14.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 99' ' ' SER . 30.5 mt-10 -68.33 159.56 31.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 33.96 32.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' GLU . 36.4 t -94.4 153.3 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 99' ' ' SER . 8.6 tp-100 -34.15 -57.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . 71.5 mt -68.61 -45.72 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.625 ' O ' HD12 ' A' ' 106' ' ' ILE . 20.5 t80 -36.72 -61.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 107' ' ' VAL . 36.3 mt-10 -49.52 -39.21 33.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 4.5 m-20 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -54.79 -43.02 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 102' ' ' TYR . 4.5 mp -67.49 -55.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' LEU . 95.4 t -50.8 -57.31 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.1 mt -36.03 -52.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -47.96 -58.17 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.16 -32.43 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 28' ' ' TYR . 15.3 t -72.62 -52.35 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CD1' HG11 ' A' ' 84' ' ' VAL . 75.2 t80 -52.44 -53.98 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -57.02 -46.04 82.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -59.25 -36.66 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.59 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -43.54 -60.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.8 -55.89 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.7 t -45.5 113.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 145.38 -99.35 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -28.75 24.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 t -48.85 147.97 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.1 t -124.29 -56.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -141.32 141.04 33.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -145.98 161.66 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.03 48.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -106.07 163.56 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -109.63 94.33 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.15 96.16 1.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -138.31 144.02 41.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.759 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 125.62 12.34 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.43 143.93 85.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' ' 14' ' ' LEU . 53.7 Cg_endo -69.72 168.62 21.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.98 17.46 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -72.51 -29.75 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -91.81 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -43.92 -43.51 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -68.96 -55.35 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.7 -56.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.7 mtm -53.04 -54.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -53.75 -59.47 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.28 -47.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.604 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 65.7 mt -59.76 -64.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.793 HG21 ' HD3' ' A' ' 66' ' ' LYS . 15.2 mm -53.2 -60.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.9 t0 -34.34 -48.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 m -66.32 -51.65 55.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 46.7 t -59.24 -23.26 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.592 HD12 ' CG2' ' A' ' 22' ' ' ILE . 73.4 mt -97.26 -25.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 10.7 p30 -105.62 16.57 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 29' ' ' LYS . 34.6 t80 -81.14 146.5 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CE2' ' A' ' 28' ' ' TYR . 9.9 ptpp? -103.93 146.61 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -83.67 -59.08 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.5 p -130.44 -53.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 m -101.82 -73.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.32 26.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLN . 4.5 tmm_? -100.02 77.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' CG ' ' HG3' ' A' ' 38' ' ' GLU . 9.0 pt20 -34.67 139.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.816 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -86.22 -26.08 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -53.02 -16.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' HG3' ' CG ' ' A' ' 35' ' ' GLN . 12.1 mt-10 -53.12 -44.05 67.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -80.85 -4.33 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.413 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 85.6 m-85 -115.01 13.74 17.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.796 HG22 ' HD2' ' A' ' 63' ' ' LYS . 36.3 mm -70.28 -57.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.9 -175.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD13 ' HE2' ' A' ' 52' ' ' TYR . 23.3 mt -134.41 158.43 75.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 132.24 22.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 t -50.93 156.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -64.8 -46.49 81.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -44.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.97 -56.84 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' HG2' ' A' ' 51' ' ' GLU . 51.8 tp -123.95 75.27 57.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.82 15.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 49' ' ' LEU . 5.4 pt-20 -55.75 -38.06 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' HE2' HD13 ' A' ' 43' ' ' LEU . 72.3 t80 -57.19 -21.73 35.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.9 -7.18 37.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.18 -53.85 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -75.39 -34.21 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.539 HG23 ' ND2' ' A' ' 90' ' ' ASN . 38.6 mm -78.91 139.56 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -82.33 -58.16 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -132.37 85.51 48.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.55 0.69 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.591 HG22 ' N ' ' A' ' 61' ' ' ASP . 15.0 p -94.81 164.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -136.33 153.63 51.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -54.12 -28.98 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HD2' HG22 ' A' ' 41' ' ' ILE . 19.5 mtpp -65.85 -25.85 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.99 -48.45 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.99 -35.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.793 ' HD3' HG21 ' A' ' 22' ' ' ILE . 2.6 mmmm -80.09 -37.02 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.01 -41.8 62.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.6 mtt-85 -65.65 -54.83 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.9 mt -46.85 -56.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 10.4 ptm180 -59.36 -31.64 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 26.0 m-20 -94.47 20.68 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 39.24 29.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HZ3' ' HA ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -66.49 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 12.8 m-85 -37.86 146.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -92.42 -34.73 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 77' ' ' LEU . 35.3 p -165.77 152.25 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' SER . 4.0 tp -35.97 -42.94 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.4 -48.37 3.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.37 -49.57 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.68 -64.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LYS . 59.1 tt0 -41.62 -63.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 81' ' ' GLU . 41.7 mtmt -35.76 -47.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -49.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 112' ' ' PHE . 89.8 t -49.63 -54.51 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.4 mmt -62.4 -28.92 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -53.04 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB2' HG13 ' A' ' 60' ' ' VAL . 1.0 OUTLIER -49.67 -37.86 30.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 74.6 m -77.19 -51.65 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -49.72 -54.33 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.539 ' ND2' HG23 ' A' ' 56' ' ' ILE . 2.6 m120 -49.62 -36.6 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -60.78 -63.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -47.15 -35.34 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.2 m -61.72 -36.74 81.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.1 t80 -92.97 -58.8 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.402 ' OD1' HD12 ' A' ' 101' ' ' ILE . 6.4 m-80 -58.35 135.19 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.07 153.91 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.854 ' N ' HD13 ' A' ' 96' ' ' LEU . 28.0 mt-10 -67.89 171.25 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.89 31.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -98.25 -178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -65.02 -56.68 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.402 HD12 ' OD1' ' A' ' 95' ' ' ASN . 81.9 mt -66.24 -47.56 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 41.0 t80 -38.19 -70.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -40.0 -40.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 1.0 OUTLIER -60.97 -55.96 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.9 p -44.39 -37.08 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.41 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -72.36 -38.27 60.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' LEU . 57.9 t -63.61 -57.13 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' VAL . 37.7 mt -35.93 -48.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -51.54 -55.61 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -34.43 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.4 t -71.39 -43.98 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CD1' HG11 ' A' ' 84' ' ' VAL . 62.4 t80 -50.15 -63.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 116' ' ' ARG . 21.8 mtpt -44.54 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m -38.14 -47.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -54.77 -40.55 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' LYS . 36.0 tpt85 -69.53 -33.32 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -59.79 -59.76 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.4 t -46.14 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.55 -90.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.05 33.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -67.19 93.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 t -126.91 -33.09 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -112.45 116.6 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -166.49 138.42 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.71 165.6 24.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.42 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 p -95.69 170.41 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -129.58 151.46 50.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.73 120.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -66.94 140.2 96.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.545 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 54.1 Cg_endo -69.73 155.34 66.27 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -48.55 144.48 6.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 160.07 51.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.78 35.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -86.19 -38.49 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.72 -54.17 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 m -51.93 -53.28 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -46.14 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -40.59 -54.79 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' A' ' 74' ' ' TYR . 7.8 mtt -50.89 -51.49 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' ALA . 4.4 m120 -60.81 -59.63 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.64 -44.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CD1' HD11 ' A' ' 77' ' ' LEU . 53.4 mt -65.67 -72.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.596 ' CG2' HD12 ' A' ' 26' ' ' ILE . 14.3 mm -43.81 -55.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' ILE . 15.4 t0 -38.18 -50.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.3 m -66.61 -59.2 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.4 t -45.46 -62.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.596 HD12 ' CG2' ' A' ' 22' ' ' ILE . 80.1 mt -52.56 -41.74 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -100.69 46.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 8.8 t80 -103.82 153.14 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 19.0 pttp -111.85 135.89 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 31' ' ' SER . 1.3 p30 -93.72 -50.95 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 33.1 t -130.1 -65.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -119.76 69.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 29' ' ' LYS . . . 50.85 31.16 23.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -78.84 130.55 35.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -91.39 104.93 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.0 mt -67.11 -46.28 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 40' ' ' PHE . 3.9 p -42.56 -24.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 21.4 mt-10 -36.53 -70.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG21 HD12 ' A' ' 101' ' ' ILE . 2.1 m -62.96 -15.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.669 ' HB3' HD11 ' A' ' 87' ' ' LEU . 50.8 m-85 -103.95 20.36 18.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mm -85.0 -67.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 11.5 tm0? -119.06 147.02 44.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 11.5 mt -98.62 156.02 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.9 66.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -67.08 120.09 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -42.16 -43.3 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -50.55 -49.18 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -73.58 -45.27 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' CG ' ' A' ' 51' ' ' GLU . 41.6 tp -127.73 76.37 77.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.09 3.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' CG ' HD12 ' A' ' 49' ' ' LEU . 6.4 pt-20 -46.74 -43.82 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' HE2' HD13 ' A' ' 43' ' ' LEU . 63.4 t80 -50.14 -35.98 28.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -81.51 -20.86 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.57 -55.84 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.96 -40.83 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.579 HG23 ' OD1' ' A' ' 90' ' ' ASN . 14.2 mm -74.58 134.46 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -80.81 -57.97 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.68 86.78 57.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.74 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.2 p -109.8 163.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 87' ' ' LEU . 14.8 m-20 -142.95 -176.82 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' HG12 ' A' ' 26' ' ' ILE . 29.1 m-85 -71.1 -17.86 62.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' C ' ' HE2' ' A' ' 64' ' ' LYS . 19.0 mtpp -78.19 -28.43 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -88.47 -43.42 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.31 -52.05 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' GLU . 24.3 mttt -59.86 -55.43 34.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LYS . 23.3 mt-10 -38.13 -53.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -50.36 -49.15 54.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.2 mt -51.12 -65.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -12.39 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -91.17 1.22 57.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 96.6 m-70 56.49 36.94 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -49.74 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.43 ' HB3' ' CE ' ' A' ' 18' ' ' MET . 4.9 m-85 -49.94 118.36 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -74.58 -38.0 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -152.1 172.13 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 21' ' ' ILE . 32.6 tp -63.34 -33.55 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.89 88.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.39 -43.09 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 84' ' ' VAL . 45.0 tp -55.41 -49.66 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' OE1' ' CE1' ' A' ' 112' ' ' PHE . 4.6 tp10 -48.3 -54.64 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -44.43 -54.22 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.86 -53.91 49.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 112' ' ' PHE . 99.2 t -46.59 -54.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.2 mmt -60.33 -29.28 68.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -67.4 -54.91 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -46.62 -37.64 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 57.2 m -72.46 -57.27 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -45.29 -60.08 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 56' ' ' ILE . 62.8 m-20 -40.44 -29.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -69.44 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -56.09 -22.35 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.1 m -76.03 -28.67 57.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.8 t80 -103.52 -57.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' A' ' 101' ' ' ILE . 12.0 m120 -67.65 138.88 56.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mp -52.72 -178.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 30.7 mt-10 -84.58 165.11 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.18 32.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 40.8 t -97.81 166.66 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.817 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -41.9 -51.74 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.448 HD12 HG21 ' A' ' 39' ' ' VAL . 7.4 mm -67.69 -49.24 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' O ' HD12 ' A' ' 106' ' ' ILE . 8.7 t80 -41.19 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -48.97 -54.94 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.98 -46.66 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 108' ' ' LEU . 5.4 p -59.53 -44.04 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.0 -42.02 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 111' ' ' VAL . 97.1 t -63.09 -55.31 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 105' ' ' SER . 62.3 mt -38.86 -44.51 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -55.95 -55.45 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -53.57 -24.08 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 107' ' ' VAL . 6.0 t -82.98 -47.42 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD2' HG11 ' A' ' 84' ' ' VAL . 51.1 t80 -54.97 -50.05 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -56.6 -64.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -52.91 -39.14 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -59.63 -57.8 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.46 -57.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.6 p -150.45 152.03 33.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.14 179.36 39.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.16 43.14 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.8 p -173.82 143.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.9 t -73.43 86.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -131.09 166.31 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -99.84 -43.38 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.68 -70.7 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 m -71.16 151.56 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -109.69 159.69 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.21 114.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -133.12 127.27 19.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.78 33.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -87.41 151.6 51.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -69.53 -45.62 68.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.73 -57.44 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 m -42.79 -49.02 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLN . 53.6 mttm -59.84 -58.47 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . 36.8 tt0 -35.63 -56.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.8 mtt -51.65 -52.17 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ALA . 69.0 m-20 -58.16 -59.62 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -36.19 -36.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.567 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 49.9 mt -71.96 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -49.03 -56.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' ILE . 10.0 t70 -38.14 -59.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.8 m -56.7 -41.36 77.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 21' ' ' ILE . 99.1 t -62.1 -62.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.7 mt -57.81 -36.47 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -69.95 -39.73 75.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -41.25 148.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -133.33 152.8 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -58.9 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 32' ' ' SER . 77.7 p -115.59 67.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m 34.06 48.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.54 -45.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.32 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -66.47 144.35 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.664 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.29 -49.87 3.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 p -42.45 -23.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.6 mt-10 -50.62 -51.54 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -73.93 2.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.73 4.99 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mm -73.11 -73.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -99.36 152.49 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.3 mt -103.05 159.21 29.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.646 0.736 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.76 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -47.67 135.97 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PRO . 83.6 mtm180 -53.01 -41.34 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -54.47 -54.79 36.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.07 -55.83 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.555 HD21 ' CE2' ' A' ' 94' ' ' PHE . 59.0 tp -125.58 74.78 69.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.74 -49.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG2' HD12 ' A' ' 49' ' ' LEU . 9.5 pt-20 -40.42 -43.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.469 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 2.5 t80 -43.87 -42.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -72.0 -32.35 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -56.49 -61.69 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -63.73 -47.34 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.71 135.79 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -87.98 -63.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -111.73 81.23 3.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 80.0 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -95.03 152.54 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' HD12 ' A' ' 87' ' ' LEU . 1.2 p-10 -129.06 -176.06 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.38 -36.41 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 14.8 mmmt -58.76 -48.13 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -61.34 -59.27 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -39.01 -47.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -62.95 -54.59 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 63' ' ' LYS . 1.4 mp0 -43.51 -60.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 9.4 mmm180 -37.99 -50.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mt -55.99 -43.57 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -70.67 -30.39 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' HIS . 31.8 m-20 -94.33 21.36 7.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ASN . 56.8 m-70 37.71 51.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -41.97 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.1 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -91.15 -38.71 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 t -150.15 169.52 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.37 -49.31 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.38 -40.33 2.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -57.25 -51.99 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 84' ' ' VAL . 40.6 tp -51.78 -43.67 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.79 -48.47 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.98 -54.87 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -61.14 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.648 HG11 ' CD1' ' A' ' 112' ' ' PHE . 90.9 t -39.43 -57.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.614 ' HE2' HG12 ' A' ' 84' ' ' VAL . 38.2 mmt -59.34 -38.21 79.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.51 HD13 ' ND2' ' A' ' 90' ' ' ASN . 1.0 OUTLIER -60.04 -47.13 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.2 tt -56.48 -30.92 63.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.3 m -83.84 -16.41 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.34 -59.24 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.51 ' ND2' HD13 ' A' ' 86' ' ' LEU . 1.1 p30 -51.97 -31.07 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.62 -30.49 70.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 94.9 m -62.48 -46.36 88.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CE2' HD21 ' A' ' 49' ' ' LEU . 2.5 t80 -79.82 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.47 152.65 33.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.97 160.11 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 14.4 mp0 -69.72 161.51 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.36 32.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.7 t -92.23 -174.97 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.67 -62.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.77 -40.62 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 19.2 t80 -41.44 -66.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.51 -41.79 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -59.16 -53.33 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.0 p -47.44 -34.01 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.0 mp -78.46 -41.99 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.9 t -60.83 -61.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 107' ' ' VAL . 54.4 mt -36.42 -45.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -56.49 -56.56 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.7 m -50.8 -25.65 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 t -83.39 -40.75 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CD1' HG11 ' A' ' 84' ' ' VAL . 45.9 t80 -57.49 -41.45 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -46.65 77.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -53.41 -42.56 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -65.55 -44.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -64.41 -41.77 96.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' SER . 38.7 mm-40 -63.6 -58.51 6.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLN . 2.8 m -38.49 -63.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 91.08 -162.6 28.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -43.14 2.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.9 m -77.12 145.18 37.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.1 p -112.92 177.47 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.3 t -82.23 107.99 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.806 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 36.3 m -36.21 137.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.7 -120.63 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -117.2 148.49 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 m -47.49 114.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.04 -165.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.1 p -123.24 138.65 30.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 92.12 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.62 152.42 2.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 169.96 17.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -64.04 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD23 ' SD ' ' A' ' 18' ' ' MET . 6.9 tt -81.12 -59.15 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.3 m -42.6 -52.47 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -57.73 -45.25 86.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' HG2' HD22 ' A' ' 77' ' ' LEU . 33.0 tp60 -38.15 -54.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.73 -57.05 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' ILE . 34.9 m120 -58.18 -60.73 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.81 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 25' ' ' VAL . 45.9 mt -82.51 -48.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.601 ' CG2' HD12 ' A' ' 26' ' ' ILE . 17.0 mm -65.6 -53.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -45.6 -22.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -94.16 -33.57 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 21' ' ' ILE . 87.7 t -75.47 -51.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 ' CG2' ' A' ' 22' ' ' ILE . 94.9 mt -62.96 -35.46 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 28' ' ' TYR . 3.1 m-20 -71.11 -42.78 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' HB2' HG11 ' A' ' 111' ' ' VAL . 20.7 t80 -36.48 148.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -133.55 151.03 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.72 157.38 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -39.3 -43.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -62.0 -51.15 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.0 41.17 0.22 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -118.21 157.64 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.308 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -95.61 94.42 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -58.99 -43.21 91.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 p -43.06 -24.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.2 -57.96 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.01 -3.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.671 ' CD2' HD11 ' A' ' 108' ' ' LEU . 97.7 m-85 -113.6 8.63 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 ' HD2' ' A' ' 63' ' ' LYS . 10.1 mm -74.73 -56.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 167.38 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 15.7 mt -114.8 159.92 35.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.79 120.95 7.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -39.99 155.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -68.65 -57.34 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -43.95 -44.3 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.16 -52.41 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD11 ' CD ' ' A' ' 51' ' ' GLU . 12.4 tp -131.98 79.34 67.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.638 ' CD ' HD11 ' A' ' 49' ' ' LEU . 6.7 pt-20 -70.05 -41.4 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 8.1 t80 -52.98 -22.95 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -94.6 -29.09 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.3 -61.41 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -66.63 -43.19 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 49.8 mm -70.34 130.93 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.6 mmm180 -71.78 -63.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.6 mttm -130.22 88.81 46.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HB2' HD13 ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.77 111.93 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -130.46 148.98 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -124.07 -179.39 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' LYS . 8.9 m-85 -65.43 -67.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.511 ' HD2' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -39.62 -26.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.68 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 57.9 mt -42.19 -42.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 69' ' ' ILE . 36.2 mtmt -69.02 -33.95 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 18.4 tp10 -60.01 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 13.8 mmm-85 -82.52 -47.71 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 66' ' ' LYS . 82.0 mt -46.66 -56.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -62.48 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' HIS . 86.8 m-20 -85.33 21.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 35.3 m-70 35.66 37.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -46.7 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -65.41 120.94 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -42.85 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.1 p -154.22 170.81 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 21' ' ' ILE . 24.1 tp -50.4 -47.79 56.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.88 -41.38 2.55 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.6 -53.44 56.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 16.2 tp -43.68 -50.65 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.1 tt0 -48.46 -63.86 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.3 mtmm -37.25 -38.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.95 -58.35 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.758 HG11 ' CD1' ' A' ' 112' ' ' PHE . 92.1 t -41.94 -55.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.407 ' HE2' HG12 ' A' ' 84' ' ' VAL . 34.7 mmt -59.94 -32.02 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 58' ' ' LYS . 12.8 tp -69.2 -52.84 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -53.43 -28.66 31.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 m -87.34 -19.0 28.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -84.39 -57.63 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -19.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.54 -34.96 60.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -82.22 -29.78 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -62.25 -37.35 85.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -87.77 -59.28 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.744 ' OD1' HD12 ' A' ' 101' ' ' ILE . 16.8 m-80 -60.56 165.05 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.11 169.09 12.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.1 mt-10 -73.54 162.65 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.74 30.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -91.18 177.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -58.14 -54.03 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.744 HD12 ' OD1' ' A' ' 95' ' ' ASN . 71.9 mt -71.31 -41.83 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 13.1 t80 -44.48 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -40.6 -45.03 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -56.28 -55.8 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.7 p -45.28 -36.06 3.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.4 -38.33 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 111' ' ' VAL . 90.5 t -65.21 -62.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.671 HD11 ' CD2' ' A' ' 40' ' ' PHE . 29.2 mt -39.08 -41.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 t -56.52 -27.82 58.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 28' ' ' TYR . 3.8 t -78.58 -41.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.758 ' CD1' HG11 ' A' ' 84' ' ' VAL . 71.3 t80 -55.83 -53.91 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -49.01 -56.22 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -60.58 -38.48 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -38.51 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -74.78 -64.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -41.84 -65.82 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.0 p -106.37 139.24 41.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -113.69 174.95 16.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -23.18 30.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -99.15 160.49 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.2 t -77.4 111.84 13.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -78.68 -42.19 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.393 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -82.49 164.38 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.95 142.84 6.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -129.5 147.32 51.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -151.43 167.09 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.94 173.68 27.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -111.76 143.61 28.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 121.54 8.24 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.98 150.8 44.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.17 19.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.05 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -75.17 -35.66 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.4 tt -84.2 -57.37 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 94.3 m -51.59 -53.43 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 19.8 tptm -45.65 -52.59 10.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -41.64 -49.37 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.8 mtt -52.72 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -44.67 -47.85 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.08 -35.32 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' A' ' 115' ' ' ALA . 34.2 mt -81.1 -65.71 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.698 ' CG2' HD12 ' A' ' 26' ' ' ILE . 21.5 mm -46.68 -53.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' ILE . 8.1 t70 -35.4 -59.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 28' ' ' TYR . 92.4 m -55.64 -67.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.66 -62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.698 HD12 ' CG2' ' A' ' 22' ' ' ILE . 51.1 mt -54.95 -33.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -106.02 30.55 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -104.76 152.42 22.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 47.5 pttt -133.28 137.98 46.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.37 65.9 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t 40.33 45.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -133.48 -46.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.79 6.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -88.35 114.3 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.454 ' CB ' ' HG3' ' A' ' 38' ' ' GLU . 11.0 mt-30 -48.09 155.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.8 mt -99.61 -49.06 4.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.3 p -61.02 -22.11 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 35' ' ' GLN . 23.5 mt-10 -50.25 -41.96 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 36' ' ' LEU . 2.8 m -82.16 -8.01 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 108' ' ' LEU . 80.6 m-85 -114.05 18.36 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.457 HG22 ' HD2' ' A' ' 63' ' ' LYS . 34.6 mm -75.14 -64.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -107.78 154.62 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -112.96 156.31 42.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 119.91 6.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p -59.13 146.8 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -50.17 -49.98 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -44.51 -43.67 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -76.55 -57.38 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 44.8 tp -133.02 86.99 41.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -38.07 8.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.6 pt-20 -50.79 -43.04 58.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.423 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 88.4 t80 -44.35 -32.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -86.58 -28.8 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 34.9 mm-40 -59.52 -48.02 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -82.04 -47.05 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.28 134.7 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -83.22 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.543 ' HB2' HD21 ' A' ' 86' ' ' LEU . 44.3 mttt -123.43 82.75 52.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 80.23 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 61' ' ' ASP . 14.7 p -88.83 154.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -128.52 169.26 14.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' HA ' HD12 ' A' ' 65' ' ' ILE . 13.1 m-85 -69.29 -14.01 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HD2' HG22 ' A' ' 41' ' ' ILE . 22.1 mtpp -80.79 -24.27 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 1.4 mmpt? -88.2 -39.27 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 62' ' ' PHE . 26.9 mt -60.51 -38.16 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HA ' HD12 ' A' ' 69' ' ' ILE . 33.7 mttt -71.97 -53.24 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -45.16 -56.13 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 10.7 mmm180 -43.71 -51.48 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 66' ' ' LYS . 48.4 mt -53.38 -36.76 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -76.15 -37.33 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.49 22.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 39.98 42.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.05 -58.61 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -56.0 147.75 19.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -102.19 -35.9 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.5 p -160.43 173.58 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 77' ' ' LEU . 2.6 mm? -51.82 -34.59 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -21.3 9.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.87 -33.49 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 84' ' ' VAL . 12.0 tp -74.28 -44.78 51.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.09 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.05 -31.05 64.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -38.35 23.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 80' ' ' LEU . 89.4 t -68.05 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 32.6 mmt -51.18 -26.6 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 58' ' ' LYS . 43.8 tp -74.32 -48.59 27.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 87' ' ' LEU . 3.7 tt -53.32 -26.39 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.5 m -86.74 -36.67 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -69.5 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 58' ' ' LYS . 70.4 m-20 -51.57 -32.95 30.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.81 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -71.01 -20.91 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.8 m -74.09 -33.52 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.643 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.6 t80 -94.98 -58.3 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -52.72 172.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.532 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 8.9 mp -94.16 174.23 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 99' ' ' SER . 4.1 mp0 -86.32 163.42 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.26 29.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.8 t -92.32 174.56 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -61.25 -54.36 45.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.15 -46.58 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 24.7 t80 -41.8 -55.68 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -51.89 -38.73 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.22 -59.92 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.94 ' HA ' HD12 ' A' ' 108' ' ' LEU . 78.1 p -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.37 -50.16 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 111' ' ' VAL . 96.1 t -59.11 -51.83 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' A' ' 105' ' ' SER . 23.8 mt -35.83 -57.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -45.78 -59.45 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.2 t -49.5 -27.6 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 107' ' ' VAL . 14.7 t -80.1 -34.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -64.22 -50.57 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.54 -58.88 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -48.11 -42.07 28.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . -49.69 -59.79 3.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' ALA . 14.6 mtp85 -35.81 -57.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -74.33 -68.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -100.32 111.66 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -101.75 -99.09 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 141.71 46.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -140.09 158.09 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.5 t -134.95 118.76 17.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -48.49 159.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -115.13 151.28 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.45 170.58 14.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -128.0 -60.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -85.06 125.64 32.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.57 -100.08 1.41 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -141.46 147.25 45.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 122.25 8.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -68.01 148.92 98.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.9 26.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -24.94 29.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -71.03 -47.03 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 5.2 tt -72.97 -56.49 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.6 m -50.11 -44.22 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.44 -43.15 95.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.629 ' HG2' HD11 ' A' ' 77' ' ' LEU . 18.7 tt0 -52.95 -47.12 68.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.41 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 8.9 mtm -63.43 -45.79 89.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 26.1 m120 -59.74 -58.66 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.5 -43.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.674 HG21 ' CE1' ' A' ' 112' ' ' PHE . 19.2 mt -63.27 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.624 ' CG2' HD12 ' A' ' 26' ' ' ILE . 12.1 mm -57.98 -57.63 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.6 t0 -34.17 -47.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.1 m -69.9 -44.42 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' ILE . 76.6 t -59.01 -52.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.624 HD12 ' CG2' ' A' ' 22' ' ' ILE . 76.2 mt -63.73 -38.34 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -95.32 34.98 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 6.9 t80 -106.96 154.96 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 64.8 mttt -122.66 135.85 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -103.84 -52.29 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 t -90.57 21.6 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 61.74 50.26 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.33 -52.68 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 18.3 ttm105 -72.36 133.3 44.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HB3' ' CD ' ' A' ' 38' ' ' GLU . 8.3 tt0 -94.5 146.66 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.78 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p -39.24 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' LEU . 64.1 mt-10 -50.57 -51.44 48.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 9.2 m -73.53 2.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 42.3 m-85 -125.21 17.93 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.8 mm -75.24 -72.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -114.02 151.62 32.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -92.93 157.72 38.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.47 69.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t -68.79 119.37 13.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 4.3 tmm_? -37.55 -34.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -68.21 -46.13 71.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' SER . 5.6 mm-40 -69.1 -51.88 34.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 94' ' ' PHE . 10.8 tp -126.03 76.03 71.77 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.559 0.695 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -47.92 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -41.44 -46.11 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.35 -43.1 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -71.91 -30.22 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.87 -58.91 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 56' ' ' ILE . 12.7 mm -63.61 139.44 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -92.71 -61.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -118.14 84.9 23.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 128.15 15.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.545 HG21 ' OD2' ' A' ' 83' ' ' ASP . 4.0 p -153.52 154.08 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.2 p30 -132.35 -175.49 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.59 -34.43 77.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -45.67 -47.0 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.403 HG23 ' OH ' ' A' ' 74' ' ' TYR . 96.8 mt -51.35 -41.94 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.19 -38.78 42.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -47.53 -37.98 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -75.02 -29.67 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.44 -73.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -52.74 -30.62 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 30.7 m-20 -72.26 -22.37 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 18.1 m-70 72.47 54.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -109.98 -39.59 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.403 ' OH ' HG23 ' A' ' 65' ' ' ILE . 2.7 m-85 -47.82 145.86 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.39 -36.0 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 m -173.11 163.93 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 17' ' ' GLN . 6.4 mt -46.0 -44.22 14.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.66 -33.75 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.1 m-20 -72.17 -57.84 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 84' ' ' VAL . 37.6 tp -35.3 -43.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' LYS . 43.5 tt0 -61.78 -56.95 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . 13.4 mmtp -34.32 -48.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.545 ' OD2' HG21 ' A' ' 60' ' ' VAL . 9.2 t0 -73.27 -55.3 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 80' ' ' LEU . 96.8 t -40.15 -57.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.9 mmt -56.12 -43.84 78.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.76 -49.47 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -49.91 -35.51 24.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.1 m -74.17 -40.13 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' ASN . 11.7 t60 -57.73 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' HIS . 78.5 m-20 -36.49 -45.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' O ' ' ND2' ' A' ' 95' ' ' ASN . . . -63.87 -59.18 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -47.68 -20.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.9 m -89.55 -50.33 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 49' ' ' LEU . 1.5 t80 -64.8 -59.41 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -76.29 135.8 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.88 173.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.8 mp0 -79.52 167.03 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.11 27.74 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.2 t -92.04 174.83 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -59.41 -46.67 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.0 mt -77.17 -29.16 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 23.7 t80 -59.05 -69.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.54 -48.5 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -47.47 -52.26 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 108' ' ' LEU . 13.4 p -53.01 -38.63 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.0 mp -68.41 -41.2 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' LEU . 84.4 t -63.22 -54.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 105' ' ' SER . 61.1 mt -36.11 -59.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -43.24 -57.66 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t -47.32 -29.92 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 t -81.41 -43.21 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CE1' HG21 ' A' ' 21' ' ' ILE . 77.1 t80 -63.63 -55.29 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.24 -58.66 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 m -57.12 -45.27 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -47.02 -51.83 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -59.98 -57.82 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -46.73 -62.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.9 t -56.62 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -127.7 -167.69 12.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.26 20.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 t -100.05 -60.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -93.63 108.49 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -83.13 153.56 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -128.89 142.71 50.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.27 166.63 14.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -76.92 116.62 17.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -39.35 -38.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.31 80.5 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -121.46 156.97 57.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -68.2 146.13 97.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.69 23.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.43 36.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -80.93 -54.07 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.3 -45.01 93.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.501 HG22 ' ND2' ' A' ' 19' ' ' ASN . 8.5 m -60.27 -65.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 31.3 tttp -37.44 -42.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -60.36 -47.19 87.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' THR . 6.4 mtt -58.7 -63.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.501 ' ND2' HG22 ' A' ' 15' ' ' THR . 1.9 p30 -55.7 -35.23 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . -56.86 -37.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.76 -60.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASP . 8.0 mm -55.81 -58.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.2 t0 -34.23 -50.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.7 m -63.02 -60.3 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' HG11 ' A' ' 111' ' ' VAL . 74.1 t -45.48 -55.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' HD3' ' A' ' 66' ' ' LYS . 57.6 mt -60.92 -40.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -96.94 36.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 2.8 t80 -109.98 140.34 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -108.85 143.53 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -106.07 -62.76 1.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -140.39 139.22 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t 58.34 36.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 49.61 25.0 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -95.9 109.52 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 26' ' ' ILE . 10.5 tt0 -57.99 155.95 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 36' ' ' LEU . 2.9 mp -103.32 -48.66 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -15.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -39.46 66.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.1 m -85.82 1.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 80.3 m-85 -119.83 9.07 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -66.04 -74.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -100.12 164.47 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.4 mt -121.47 157.97 54.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.45 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.376 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -48.87 174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -80.42 -40.98 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -63.11 -50.57 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.18 -59.13 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 51' ' ' GLU . 25.6 tp -131.01 84.27 58.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -41.25 4.45 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 49' ' ' LEU . 4.6 pt-20 -49.61 -39.27 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -49.28 -37.87 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.86 -19.41 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -70.3 -61.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -66.7 -44.96 80.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.63 139.36 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -83.55 -61.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HB2' HD21 ' A' ' 86' ' ' LEU . 17.0 mttp -128.4 82.96 67.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 81.66 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.767 HG11 ' OD1' ' A' ' 83' ' ' ASP . 7.8 p -88.05 154.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.09 166.13 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -65.89 -25.85 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.64 -53.66 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.37 -42.02 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.1 mt -54.67 -40.23 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HD3' HD12 ' A' ' 26' ' ' ILE . 23.4 mtmm -79.77 -39.42 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.74 -20.95 9.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -84.38 -37.09 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.06 -35.38 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.77 -22.78 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -94.09 18.63 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 42.54 40.6 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -85.36 -63.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -39.18 116.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 -68.76 -31.43 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -160.15 163.23 33.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.5 -48.64 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.63 -39.13 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.09 -55.78 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 84' ' ' VAL . 29.2 tp -42.29 -39.43 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' LYS . 42.6 tt0 -60.99 -64.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' GLU . 88.1 mttt -36.78 -40.54 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.767 ' OD1' HG11 ' A' ' 60' ' ' VAL . 41.2 t0 -73.62 -62.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 80' ' ' LEU . 96.7 t -37.8 -57.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.2 mmt -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 58' ' ' LYS . 18.9 tp -67.52 -58.02 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB2' HG13 ' A' ' 60' ' ' VAL . 1.8 tt -43.26 -29.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.1 m -85.8 -41.37 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -60.01 -62.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -39.06 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.5 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.95 -40.6 96.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.0 m -51.69 -30.99 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.6 t80 -97.96 -55.62 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -63.24 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -72.65 178.56 4.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 1.4 mp0 -92.9 158.52 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.29 25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 p -88.75 170.96 10.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.345 . . . . 0.0 110.85 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -50.3 -50.75 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.17 -48.11 44.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CE2' HD11 ' A' ' 106' ' ' ILE . 49.8 t80 -39.01 -66.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 107' ' ' VAL . 33.1 mt-10 -37.11 -36.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -60.44 -61.39 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.8 p -40.63 -30.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.6 mp -83.18 -44.24 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 103' ' ' GLU . 88.3 t -62.89 -54.98 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.417 HD11 ' CE1' ' A' ' 40' ' ' PHE . 45.6 mt -37.78 -42.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.4 -58.35 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.2 t -48.99 -24.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 25' ' ' VAL . 21.0 t -82.83 -44.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 84' ' ' VAL . 10.5 t80 -60.1 -43.31 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -62.98 -60.68 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -54.62 -28.86 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.51 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -75.64 -54.53 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -58.51 -47.73 83.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.5 t -58.09 96.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -163.19 -146.9 4.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 92.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.27 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -100.38 138.15 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -120.78 164.61 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -121.51 149.83 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -100.98 125.25 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 79.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m 49.32 54.59 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 p -110.76 -41.19 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.35 168.93 18.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -139.15 152.99 70.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.6 Cg_endo -69.77 105.83 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' PRO . 27.1 m-20 -34.87 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.78 23.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -13.35 34.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -84.78 -40.86 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tt -77.92 -50.93 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.0 m -50.48 -51.36 47.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.14 -37.43 82.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -57.71 -51.23 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mtm -55.29 -49.45 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -58.73 -44.31 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -46.18 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.93 -65.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.9 mm -51.53 -62.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -39.75 -50.18 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -60.19 -35.97 76.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.528 HG22 HG12 ' A' ' 111' ' ' VAL . 73.1 t -74.24 -70.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 62' ' ' PHE . 82.2 mt -43.36 -43.73 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' TYR . 10.2 m120 -61.59 -41.32 97.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.694 ' CD2' HG21 ' A' ' 111' ' ' VAL . 4.6 t80 -35.74 148.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 9.2 ptpp? -133.73 152.48 51.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -93.66 -67.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -92.19 64.67 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 39.47 38.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . 162.54 -44.62 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -53.57 86.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . 17.4 tt0 -67.66 94.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -47.63 -48.69 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 80.7 p -40.49 -28.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' LEU . 13.1 mt-10 -41.97 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -55.35 -13.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 87' ' ' LEU . 89.6 m-85 -107.02 21.02 18.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 63' ' ' LYS . 15.6 mm -93.89 -67.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.425 ' HG3' ' CD ' ' A' ' 63' ' ' LYS . 12.8 mt-30 -109.91 138.33 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 52' ' ' TYR . 19.3 mt -85.0 158.86 58.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 138.29 37.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.4 t -51.02 134.77 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.12 -47.76 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.38 -42.76 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -63.58 -52.82 59.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 28.7 tp -134.39 82.24 46.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.2 8.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 10.5 pt-20 -52.6 -44.25 65.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 43' ' ' LEU . 35.4 t80 -43.82 -40.76 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.409 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 79.9 m-85 -80.42 -22.53 41.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 35.3 mt-10 -67.99 -62.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.85 -48.24 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.38 134.01 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -77.36 -62.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -127.79 87.17 56.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.546 0.688 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.73 94.6 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.536 HG22 ' N ' ' A' ' 61' ' ' ASP . 5.6 p -103.51 159.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.746 ' HA ' HD12 ' A' ' 87' ' ' LEU . 9.0 m-20 -142.38 156.04 45.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 26' ' ' ILE . 3.5 m-85 -43.37 -51.61 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' CD ' ' HG3' ' A' ' 42' ' ' GLN . 11.9 mtpp -45.37 -44.06 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.89 -50.99 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.27 -45.95 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' GLU . 9.0 mtpm? -72.3 -50.66 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' LYS . 33.5 tt0 -36.92 -34.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -72.73 -56.04 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -42.96 -41.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 70' ' ' ARG . 1.3 ptp180 -77.46 -29.87 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -90.85 8.66 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 49.88 33.87 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -75.57 -44.68 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -52.6 147.67 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -94.92 -34.81 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 t -168.35 175.88 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -52.66 -58.19 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.1 -42.83 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.2 t0 -55.39 -59.75 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ASP . 59.3 tp -34.68 -54.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 30.3 tt0 -48.97 -54.15 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 48.0 mttt -35.87 -39.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.99 -58.72 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.991 HG11 ' CD1' ' A' ' 112' ' ' PHE . 91.3 t -39.95 -54.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.544 ' HE1' ' CD2' ' A' ' 112' ' ' PHE . 36.5 mmt -56.37 -38.49 71.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD12 ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -60.24 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 61' ' ' ASP . 7.3 tt -47.08 -22.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.5 m -93.3 -30.72 15.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -68.68 -55.57 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.462 ' ND2' HD12 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -52.21 -26.0 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.555 ' NE2' HD11 ' A' ' 106' ' ' ILE . 2.3 mm100 -77.46 -8.25 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 m -82.71 -59.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.2 t80 -71.01 -49.41 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.586 ' OD1' HD12 ' A' ' 101' ' ' ILE . 49.5 m-80 -79.58 164.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.36 170.98 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' SER . 19.1 mt-10 -60.96 168.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.36 26.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 47.1 t -94.28 143.01 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.7 tp-100 -35.22 -57.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.586 HD12 ' OD1' ' A' ' 95' ' ' ASN . 54.7 mt -65.21 -45.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 21.9 t80 -47.14 -57.84 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.77 -36.79 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -58.75 -34.14 71.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p -68.09 -52.67 32.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.555 HD11 ' NE2' ' A' ' 92' ' ' GLN . 4.6 mm -38.22 -48.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 28' ' ' TYR . 80.9 t -61.23 -58.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 40' ' ' PHE . 79.3 mt -36.39 -54.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -56.75 -56.79 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -49.11 -35.78 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.694 HG21 ' CD2' ' A' ' 28' ' ' TYR . 87.8 t -77.71 -24.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.991 ' CD1' HG11 ' A' ' 84' ' ' VAL . 62.9 t80 -76.29 -50.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -56.93 -57.02 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' SER . 14.5 t -59.32 -37.54 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 111' ' ' VAL . . . -53.47 -29.22 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.425 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 65.9 mtm180 -84.1 -23.18 30.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -132.18 40.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 2.4 t -80.43 86.76 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.13 7.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 176.39 6.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 94.6 p -57.47 179.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -51.9 119.66 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -160.8 123.08 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -102.88 161.87 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.27 -51.74 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -59.59 -59.39 5.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -138.8 164.35 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.96 178.36 34.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 p -146.95 143.79 18.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 135.14 29.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -49.6 144.39 9.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.74 26.53 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.15 32.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -84.56 -39.09 19.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -85.58 -52.66 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 m -49.63 -51.52 37.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -57.24 -49.09 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.2 tt0 -40.54 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.433 ' HE1' ' HB2' ' A' ' 74' ' ' TYR . 16.3 mtt -35.12 -71.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -43.7 -56.13 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . -38.79 -47.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 77' ' ' LEU . 34.0 mt -60.1 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 26' ' ' ILE . 28.2 mm -58.82 -56.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' ILE . 35.9 t70 -34.39 -62.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.3 m -51.79 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ILE . 69.7 t -70.82 -73.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 ' CG2' ' A' ' 22' ' ' ILE . 76.4 mt -42.11 -34.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' TYR . 4.0 m120 -75.62 -43.83 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 13.7 t80 -37.13 151.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -134.19 158.91 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' HB3' HD21 ' A' ' 36' ' ' LEU . 5.6 p30 -89.75 -176.5 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -61.1 -19.55 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -92.47 5.33 51.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.09 16.92 35.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' LEU . 20.8 mtt85 -97.75 100.34 11.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -40.17 94.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -47.04 -45.15 21.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' PHE . 86.5 p -40.0 -28.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 19.5 mt-10 -40.29 -69.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -58.86 -13.4 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 108' ' ' LEU . 61.2 m-85 -108.41 16.97 22.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 42' ' ' GLN . 10.5 mm -80.41 -74.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.514 ' N ' HG22 ' A' ' 41' ' ' ILE . 19.7 tp60 -130.29 114.59 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.1 mt -64.24 160.3 50.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.814 ' CG ' HD23 ' A' ' 49' ' ' LEU . 53.9 Cg_endo -69.79 145.72 57.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -56.01 167.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -79.74 -43.41 22.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -26.14 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.62 -52.41 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' CG ' ' A' ' 44' ' ' PRO . 18.7 tp -121.57 69.86 24.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 55' ' ' LEU . 7.7 pt-20 -38.11 -44.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.582 ' CE1' HG13 ' A' ' 56' ' ' ILE . 42.5 t80 -52.64 -44.89 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' PRO . 64.2 m-85 -73.23 -9.05 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 5.3 mm-40 -82.46 -47.34 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -82.29 -34.14 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 52' ' ' TYR . 41.9 mm -74.76 137.66 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -84.29 -60.32 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.735 ' HB2' HD21 ' A' ' 86' ' ' LEU . 51.6 mttt -125.52 85.54 58.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.544 HG11 ' OD1' ' A' ' 83' ' ' ASP . 5.6 p -122.6 162.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 87' ' ' LEU . 74.2 m-20 -147.86 177.18 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 26' ' ' ILE . 6.7 m-85 -60.1 -56.58 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -49.84 -25.73 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.75 -53.42 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 83.0 mt -51.51 -43.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 69' ' ' ILE . 10.0 mmtp -61.68 -56.08 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -54.07 -24.15 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 9.7 tpt180 -78.9 -31.97 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 66' ' ' LYS . 24.3 mt -77.23 -57.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -57.02 -14.93 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -95.07 11.71 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 49.85 30.8 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -79.14 -17.63 54.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 68' ' ' ARG . 10.2 m-85 -89.64 155.4 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -113.81 -36.9 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -145.49 145.29 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 21' ' ' ILE . 18.7 tp -43.85 -52.51 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.94 -41.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' LEU . 14.6 t0 -54.7 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 53.8 tp -36.21 -49.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.7 tt0 -45.17 -60.08 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' GLU . 38.6 mmtt -35.48 -49.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.544 ' OD1' HG11 ' A' ' 60' ' ' VAL . 14.3 t0 -66.35 -54.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 112' ' ' PHE . 99.2 t -45.07 -47.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.4 mmt -63.36 -36.91 85.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 58' ' ' LYS . 25.7 tp -68.11 -49.54 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 61' ' ' ASP . 3.8 tt -45.77 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.22 -49.44 10.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -52.41 -51.18 60.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -43.82 -44.2 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.17 -59.87 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -45.88 -34.52 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -63.59 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.4 t80 -80.53 -57.06 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.471 ' OD1' HD12 ' A' ' 101' ' ' ILE . 48.4 m-80 -68.18 151.8 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.7 177.64 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 21.8 mt-10 -75.37 159.58 31.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.25 27.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -87.1 168.76 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -48.52 -59.34 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.471 HD12 ' OD1' ' A' ' 95' ' ' ASN . 31.3 mt -67.34 -39.21 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -41.94 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 107' ' ' VAL . 8.0 mm-40 -40.51 -49.87 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -46.89 -45.15 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 p -57.74 -36.61 72.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.19 -29.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 103' ' ' GLU . 58.0 t -73.05 -66.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.644 HD11 ' CE2' ' A' ' 40' ' ' PHE . 35.2 mt -34.39 -49.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -56.25 -50.43 71.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' VAL . 35.0 m -55.99 -26.54 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.3 t -84.97 -41.04 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CD1' HG11 ' A' ' 84' ' ' VAL . 65.4 t80 -51.6 -51.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -54.34 -53.51 52.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -53.76 -44.13 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.86 -44.94 82.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -57.24 -37.27 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -81.99 -66.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.7 p -71.08 108.38 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.76 -133.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -49.02 147.91 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.9 m -95.23 84.2 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -102.51 -46.08 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -96.84 -56.77 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.34 170.9 43.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -90.14 95.6 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -165.26 140.87 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 50.51 0.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -55.67 139.08 69.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 109.62 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -41.45 149.19 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.59 27.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.228 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -83.38 -33.27 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.0 tm? -83.41 -59.5 2.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -43.06 -51.79 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.3 mmmt -61.08 -52.82 63.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' LYS . 50.7 tt0 -35.29 -53.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.9 mtm -61.55 -46.16 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.86 -55.17 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.45 -40.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 112' ' ' PHE . 17.8 mt -71.61 -72.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.57 ' CG2' HD12 ' A' ' 26' ' ' ILE . 13.1 mm -43.06 -54.25 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.0 t70 -35.31 -62.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -57.31 -54.12 50.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.54 -64.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.57 HD12 ' CG2' ' A' ' 22' ' ' ILE . 91.9 mt -57.95 -42.35 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -97.2 40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 111' ' ' VAL . 25.7 t80 -97.05 136.91 36.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -90.14 132.27 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -94.96 -52.98 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -129.44 -68.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' GLY . 90.2 p -117.74 75.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 38.05 45.12 1.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -118.04 89.43 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -49.56 127.11 14.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.696 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -76.49 -20.43 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 p -56.4 -13.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -49.1 -55.13 13.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -75.02 5.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -126.34 19.47 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 7.2 mm -87.32 -74.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -97.72 148.87 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -102.13 156.34 35.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.53 42.84 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 t -61.72 140.91 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' PRO . 62.1 mtm180 -56.05 -46.67 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -51.27 -54.27 27.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.28 -59.71 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 52' ' ' TYR . 26.5 tp -117.81 70.88 7.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.75 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HA ' ' CD ' ' A' ' 54' ' ' GLU . 2.3 pt-20 -39.95 -44.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 10.7 t80 -45.8 -42.32 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.975 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -73.29 -24.68 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' CD ' ' HA ' ' A' ' 51' ' ' GLU . 92.3 mt-10 -64.88 -61.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -62.41 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.9 mm -78.49 143.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -111.27 -31.97 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.991 ' HB2' HD21 ' A' ' 86' ' ' LEU . 18.3 mmmt -121.01 67.94 16.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.383 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.498 HG22 ' N ' ' A' ' 61' ' ' ASP . 14.9 p -99.83 158.78 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -136.71 163.93 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.17 -27.64 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CD ' ' O ' ' A' ' 41' ' ' ILE . 13.9 mtpt -66.86 -46.13 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -62.12 -53.79 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.3 mt -45.18 -57.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 69' ' ' ILE . 4.5 mtpm? -53.27 -45.37 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.01 -46.66 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.546 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 17.3 mmt180 -53.16 -22.69 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 66' ' ' LYS . 58.4 mt -81.12 -65.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.26 -22.53 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 33.2 m-20 -92.54 16.75 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 11.3 m-70 35.97 31.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -72.54 -56.02 6.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 10.8 m-85 -45.62 159.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 1.3 mpp_? -105.07 -29.96 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -165.03 163.19 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 21' ' ' ILE . 22.8 tp -45.28 -42.88 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.12 -57.7 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.6 m-20 -41.47 -62.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.2 tp -35.73 -57.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.3 tt0 -45.04 -66.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' GLU . 20.3 mtpp -35.94 -48.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.89 -53.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.87 -63.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mmt -48.28 -36.26 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.991 HD21 ' HB2' ' A' ' 58' ' ' LYS . 16.1 tp -67.21 -52.19 44.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 87' ' ' LEU . 4.6 tt -50.06 -27.41 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.88 -24.76 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -74.04 -51.51 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -16.94 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.89 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 m -63.23 -36.53 83.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.453 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.7 t80 -94.17 -55.21 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 101' ' ' ILE . 9.4 m-80 -66.48 153.44 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.23 166.59 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.547 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 35.5 mt-10 -72.57 159.52 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.08 27.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.8 t -88.16 169.92 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -51.25 -54.31 27.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.584 HD12 ' OD1' ' A' ' 95' ' ' ASN . 97.1 mt -71.35 -33.43 50.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 49.6 t80 -45.59 -68.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.88 -42.79 69.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -47.45 -37.74 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.4 p -72.66 -45.45 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.36 -30.85 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' LEU . 21.7 t -67.14 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' VAL . 33.0 mt -34.44 -39.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.44 -58.01 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.6 -26.94 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.45 HG21 ' CD2' ' A' ' 28' ' ' TYR . 14.1 t -79.78 -38.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 21' ' ' ILE . 48.5 t80 -64.44 -58.35 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -46.0 -47.49 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -71.56 -38.88 70.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.62 -30.72 5.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 -74.07 -54.45 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -74.52 4.67 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.4 t -100.96 150.9 22.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.42 157.84 26.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.87 34.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 t -107.66 138.26 44.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.2 m -109.46 113.73 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -133.85 141.43 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -128.2 99.01 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.6 151.59 1.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -109.83 118.52 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -122.61 107.09 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.73 61.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -158.98 144.02 11.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.59 16.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.41 158.49 51.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.39 38.47 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -19.59 36.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.3 -52.16 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.63 -49.08 57.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 16' ' ' LYS . 92.7 m -54.62 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.936 ' HA ' HD22 ' A' ' 19' ' ' ASN . 0.6 OUTLIER -37.64 -62.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.697 ' CD ' HD12 ' A' ' 77' ' ' LEU . 3.1 tt0 -34.25 -61.27 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt -41.7 -71.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.936 HD22 ' HA ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER -47.63 -41.65 22.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . -51.46 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 77' ' ' LEU . 43.6 mt -77.72 -62.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 84' ' ' VAL . 13.1 mm -50.9 -57.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.82 -28.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -84.3 -29.97 25.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ILE . 89.6 t -79.9 -50.64 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.526 HG23 ' OG ' ' A' ' 37' ' ' SER . 98.9 mt -61.97 -40.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -66.93 -37.19 83.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -42.91 151.89 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -133.16 147.45 52.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -67.71 173.75 4.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -44.39 -68.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -47.36 -49.0 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.96 -13.27 3.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 41.1 mtm180 -65.56 126.44 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HB3' ' CD ' ' A' ' 38' ' ' GLU . 60.4 tt0 -58.16 148.78 25.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.838 HD23 ' CG ' ' A' ' 104' ' ' ASP . 6.0 mp -96.33 -59.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.526 ' OG ' HG23 ' A' ' 26' ' ' ILE . 43.5 p -40.61 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 43.6 mt-10 -43.83 -63.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.669 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -66.2 -6.07 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.669 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 60.0 m-85 -114.17 21.17 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 mm -87.56 -69.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 14.0 tm0? -102.1 150.38 23.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 25.6 mt -104.67 158.23 32.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.8 Cg_endo -69.75 111.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' PRO . 59.1 m -36.49 126.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -43.75 -45.8 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -52.44 -52.69 52.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.98 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 18.9 tp -119.97 83.37 30.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.18 11.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 11.3 pt-20 -54.78 -35.62 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -52.78 -35.41 56.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -87.43 -14.8 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.41 -55.24 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -74.77 -41.36 60.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 59' ' ' PRO . 49.3 mm -72.88 125.1 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.29 -58.93 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -134.09 84.24 43.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HB3' HG21 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.77 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.4 p -93.9 158.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.625 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.4 p-10 -136.66 171.34 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.25 -37.61 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -64.27 -21.74 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.46 -52.11 5.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.0 -52.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HE3' ' CD1' ' A' ' 26' ' ' ILE . 5.6 mtmp? -62.61 -28.82 70.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.14 -21.12 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -86.6 -45.04 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.9 mt -51.05 -46.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -71.92 -22.2 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -94.0 15.64 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER 39.57 38.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -56.2 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 9.4 m-85 -46.11 171.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.57 -15.91 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -173.76 168.2 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD12 ' CD ' ' A' ' 17' ' ' GLN . 1.3 tt -53.5 -44.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.06 -55.97 4.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.513 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.2 m-20 -48.46 -41.91 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 84' ' ' VAL . 53.4 tp -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 82' ' ' LYS . 8.4 tm-20 -67.76 -60.93 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.0 mtpt -39.12 -45.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.09 -63.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 80' ' ' LEU . 94.3 t -40.11 -57.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.47 ' HE2' HG12 ' A' ' 84' ' ' VAL . 35.6 mmt -53.08 -42.98 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' HIS . 8.6 tp -59.62 -59.04 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 61' ' ' ASP . 2.8 tt -43.23 -25.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.56 -29.28 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' LEU . 6.8 t60 -75.4 -51.95 11.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -15.46 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.7 -52.83 11.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 47.9 mt-30 -61.72 -33.21 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 m -57.71 -44.92 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.0 t80 -89.72 -59.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -60.29 145.02 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.03 176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.584 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . 17.0 mt-10 -98.91 166.26 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.6 31.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 p -100.03 -174.81 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -62.2 -61.83 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 104' ' ' ASP . 46.0 mt -59.69 -58.33 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 7.1 t80 -34.31 -52.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -58.16 -44.03 87.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.838 ' CG ' HD23 ' A' ' 36' ' ' LEU . 10.3 t0 -52.54 -47.59 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -51.22 -41.95 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' A' ' 102' ' ' TYR . 2.7 mp -65.42 -48.63 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 108' ' ' LEU . 91.3 t -50.99 -62.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.664 HD21 ' CB ' ' A' ' 36' ' ' LEU . 34.0 mt -36.1 -49.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.27 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 t -45.8 -27.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.22 -44.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CE2' HG21 ' A' ' 21' ' ' ILE . 7.2 t80 -59.43 -58.45 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -46.36 -59.31 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -58.08 -16.66 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 112' ' ' PHE . . . -82.32 -62.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -55.64 -21.39 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -92.1 -37.68 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.8 t -76.76 98.52 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.07 131.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 176.12 7.24 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 p -133.95 -46.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 86.28 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -100.35 124.03 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -91.97 -49.5 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 121.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -86.64 -39.1 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -132.98 109.6 9.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.46 -55.58 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.8 p -93.71 140.03 22.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.71 31.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -42.46 152.72 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.4 34.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.64 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -49.98 -32.77 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -79.65 -56.16 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -48.96 -55.64 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -60.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -43.24 -46.54 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.6 mtm -61.3 -46.03 91.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -59.82 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.43 -57.88 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.55 -70.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' VAL . 8.3 mm -46.64 -65.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 22' ' ' ILE . 4.5 t70 -34.6 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' ILE . 52.9 m -78.37 -44.27 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ILE . 99.6 t -61.73 -58.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG12 ' CD1' ' A' ' 62' ' ' PHE . 86.2 mt -55.56 -49.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' TYR . 93.5 m-20 -59.95 -45.68 91.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' ASN . 31.9 t80 -37.12 141.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 7.7 ptpp? -133.02 158.86 41.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' N ' HD11 ' A' ' 36' ' ' LEU . 18.6 p-10 -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -70.23 -175.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -78.28 46.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.55 -53.92 0.66 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.58 118.52 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -76.9 170.21 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD23 ' CG ' ' A' ' 104' ' ' ASP . 5.5 mp -96.58 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.7 p -42.35 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . 31.4 mt-10 -42.99 -61.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.65 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.6 m -65.49 -12.26 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -105.4 20.38 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 63' ' ' LYS . 17.2 mm -91.18 -74.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.5 128.79 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.37 155.98 41.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' PRO . 6.7 t -34.76 145.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' SER . 18.4 mmm-85 -37.08 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -66.16 -47.86 72.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' SER . 6.8 mm-40 -56.72 -50.09 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 3.4 tp -164.58 105.01 0.84 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.628 0.727 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 -31.46 20.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 1.1 tt0 -36.81 -63.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' GLU . 27.5 t80 -36.19 -55.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.38 -35.35 80.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.1 mt-10 -55.33 -54.45 43.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.818 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -80.03 -49.39 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.7 140.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -90.84 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.14 80.32 11.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.13 9.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.6 p -129.3 159.61 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.695 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.7 p30 -141.82 169.24 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.444 ' CD1' HG12 ' A' ' 26' ' ' ILE . 17.6 m-85 -56.79 -34.45 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 41' ' ' ILE . 19.1 mmmt -60.15 -45.51 92.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -50.88 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.2 mt -46.1 -58.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.3 mtpt -58.61 -48.89 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 17.8 tt0 -42.61 -34.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -72.5 -48.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.66 -31.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 9.0 ptp180 -88.03 -39.16 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -80.04 11.83 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 49.15 47.0 22.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -92.09 -46.25 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.41 123.81 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.35 -37.79 56.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 5.3 t -164.04 -175.05 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.79 -45.67 85.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.13 -59.78 1.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -54.79 -56.51 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 84' ' ' VAL . 50.4 tp -38.52 -48.17 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.3 -52.19 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -42.82 -41.78 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.08 -60.52 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.567 HG11 ' CD2' ' A' ' 112' ' ' PHE . 91.4 t -41.01 -45.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.454 ' HE2' HG12 ' A' ' 84' ' ' VAL . 34.1 mmt -70.28 -45.91 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -53.7 -36.86 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 61' ' ' ASP . 5.3 tt -65.58 -42.85 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 86.2 m -70.67 -51.31 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -50.64 -54.17 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -53.05 -37.2 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -52.56 -54.73 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 63.9 mt-30 -61.52 -39.09 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -51.61 -41.56 61.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.818 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.3 t80 -94.06 -59.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.404 ' OD1' HD12 ' A' ' 101' ' ' ILE . 59.8 m-80 -59.06 120.66 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.07 160.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 8.7 mp0 -75.95 160.14 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.17 26.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -87.98 -176.26 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.24 -55.72 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.4 mt -69.38 -39.9 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 58.5 t80 -37.94 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 106' ' ' ILE . 48.8 mt-10 -42.55 -58.8 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.537 ' CG ' HD23 ' A' ' 36' ' ' LEU . 4.1 t0 -39.62 -43.15 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 p -61.77 -42.95 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' GLU . 3.0 mp -66.47 -43.38 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' LEU . 19.5 t -56.54 -59.84 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 107' ' ' VAL . 46.2 mt -34.24 -54.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -60.63 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.0 t -43.37 -37.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.12 -40.9 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CD2' HG11 ' A' ' 84' ' ' VAL . 1.6 t80 -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -61.1 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -62.79 -44.21 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.46 -43.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.17 -54.35 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -75.98 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.0 t -65.76 114.17 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.19 -160.52 8.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.45 14.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -172.15 132.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.0 p -57.57 91.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -52.5 158.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -132.42 149.2 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.93 74.22 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 p -52.62 130.99 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -64.44 155.65 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.94 98.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.7 p -93.95 144.01 27.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.16 12.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.22 143.11 98.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.52 24.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -12.87 33.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -87.65 -35.54 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.8 tm? -81.7 -54.07 5.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 m -43.55 -53.64 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 35.2 tttm -57.35 -52.85 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' LYS . 49.3 tt0 -35.08 -57.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 mtm -56.74 -46.38 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.13 -49.24 76.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -41.76 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.688 ' CD1' HD11 ' A' ' 77' ' ' LEU . 28.1 mt -68.79 -67.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.645 ' CG2' HD12 ' A' ' 26' ' ' ILE . 10.8 mm -50.53 -59.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.0 t70 -35.78 -54.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.6 m -58.3 -62.04 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.6 t -48.54 -69.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' CG2' ' A' ' 22' ' ' ILE . 39.3 mt -44.08 -47.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' O ' ' C ' ' A' ' 28' ' ' TYR . 6.1 m-20 -58.79 -40.75 84.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASN . 44.1 t80 -34.33 135.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -126.84 141.19 51.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -78.08 -45.49 23.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -109.91 36.68 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m 44.78 40.98 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.12 -41.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.59 125.57 53.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.37 118.98 26.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -52.67 -28.98 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 p -56.14 -20.2 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -46.61 -59.97 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.2 m -57.38 -12.75 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 50.8 m-85 -105.86 -15.18 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -53.12 -62.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -129.66 148.21 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -130.62 164.08 44.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.69 119.82 6.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.1 m -57.89 177.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HG2' ' CD2' ' A' ' 53' ' ' TYR . 42.7 mtt-85 -52.91 -42.51 65.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.08 -56.34 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -58.46 -61.41 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 7.2 tp -125.44 94.28 43.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 53.4 Cg_endo -69.82 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 5.0 pt-20 -42.27 -42.33 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -53.85 -40.77 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 27.5 m-85 -81.47 -2.2 48.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.86 -52.04 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -80.57 -35.98 33.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.7 mm -79.17 139.38 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -44.61 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.776 ' HB2' HD21 ' A' ' 86' ' ' LEU . 84.5 mttt -133.06 83.41 51.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.64 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.56 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.1 p -99.09 165.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' HG22 ' A' ' 60' ' ' VAL . 55.1 p-10 -146.56 155.57 42.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CD1' HD11 ' A' ' 26' ' ' ILE . 11.0 m-85 -48.83 -38.92 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 13.6 mtpp -54.59 -45.11 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -73.15 -46.58 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -49.96 -40.17 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -79.23 -38.75 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.9 tm-20 -49.65 -68.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.469 ' HG3' ' CE2' ' A' ' 74' ' ' TYR . 6.1 ptm180 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt -44.98 -46.52 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.96 -21.38 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' HIS . 9.1 m-80 -101.64 21.91 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 71' ' ' ASN . 3.4 m-70 35.21 42.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -82.6 -48.92 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 3.0 m-85 -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -112.73 -32.36 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 t -166.32 168.99 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.688 HD11 ' CD1' ' A' ' 21' ' ' ILE . 63.8 tp -57.11 -57.92 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . . . -38.09 -30.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' LEU . 59.8 m-20 -70.09 -46.38 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.4 tp -50.79 -32.4 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' LYS . 36.3 tt0 -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.6 mtmt -36.03 -63.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.1 p-10 -55.57 -60.92 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 80' ' ' LEU . 74.5 t -38.95 -51.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mmt -63.59 -36.16 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 58' ' ' LYS . 14.3 tp -67.99 -59.99 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.4 tt -37.33 -44.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' CYS . . . . . 0.473 ' N ' HD23 ' A' ' 87' ' ' LEU . 60.0 m -71.87 -43.9 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' GLN . 6.4 t-80 -58.2 -56.21 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' HIS . 91.1 m-20 -37.2 -41.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.46 -47.36 82.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' HIS . 76.8 mt-30 -57.98 -13.93 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.4 m -96.86 -33.93 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.3 t80 -93.16 -57.12 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.446 ' OD1' HG21 ' A' ' 101' ' ' ILE . 13.3 m-80 -64.06 135.96 56.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.831 HD13 ' N ' ' A' ' 97' ' ' GLU . 0.5 OUTLIER -58.17 150.61 21.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.831 ' N ' HD13 ' A' ' 96' ' ' LEU . 18.8 mt-10 -66.96 175.69 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.77 28.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.0 t -100.36 175.57 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -66.09 -49.76 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 104' ' ' ASP . 38.0 mt -67.76 -62.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.502 ' O ' HD12 ' A' ' 106' ' ' ILE . 3.3 t80 -39.22 -44.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.469 ' HA ' HD13 ' A' ' 106' ' ' ILE . 16.5 mt-10 -68.56 -37.13 79.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.542 ' OD1' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -56.85 -40.33 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.7 p -59.07 -37.97 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.2 mp -61.93 -24.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' LEU . 94.4 t -83.51 -61.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.6 mt -35.44 -43.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.78 -52.55 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -30.58 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -80.54 -32.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.659 ' CD1' HG11 ' A' ' 84' ' ' VAL . 40.7 t80 -68.47 -58.9 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -48.16 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -68.2 -38.65 82.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.59 -45.28 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -41.26 -57.82 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -77.85 -59.6 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -55.78 114.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -118.94 146.27 18.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.48 26.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.4 p -81.58 81.35 7.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 m -39.53 -46.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -78.26 93.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -103.68 83.81 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.99 143.88 15.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -95.8 142.74 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -141.04 138.21 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.56 47.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -133.82 129.5 20.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.719 0.771 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.2 Cg_endo -69.77 125.93 12.71 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PRO . 3.5 m-20 -35.59 146.44 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 165.9 29.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -46.12 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -56.73 -21.38 27.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.14 -55.11 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.9 m -52.04 -49.88 62.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -50.11 -60.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' HD23 ' A' ' 77' ' ' LEU . 28.1 tt0 -40.63 -46.62 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 mtt -61.04 -49.03 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 25.9 m-20 -62.81 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.33 -53.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -56.66 -64.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.597 ' CG2' HD12 ' A' ' 26' ' ' ILE . 19.2 mm -52.09 -67.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -36.46 -32.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ILE . 94.1 m -81.4 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.17 -47.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 ' CG2' ' A' ' 22' ' ' ILE . 74.4 mt -66.74 -46.13 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 1.3 t80 -103.39 133.48 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -111.15 139.02 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.7 -175.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -70.91 -26.04 63.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -72.48 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.21 48.21 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -148.14 164.5 33.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -85.72 143.55 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -109.68 -11.54 14.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -92.4 -31.4 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 23.9 mt-10 -42.89 -51.63 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 40' ' ' PHE . 3.4 m -54.88 -30.58 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' HE2' ' HB2' ' A' ' 91' ' ' ALA . 80.9 m-85 -91.48 -22.72 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 62' ' ' PHE . 26.7 mm -49.59 -49.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -127.5 109.29 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -102.17 164.43 15.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.77 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 m -62.45 -177.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -61.34 -47.04 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.42 -54.84 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.18 -54.14 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 23.5 tp -132.84 85.88 45.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -33.0 17.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.0 pt-20 -62.81 -28.82 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.578 ' CE1' HG13 ' A' ' 56' ' ' ILE . 87.3 t80 -61.82 -33.05 73.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 9.0 m-85 -83.42 -14.41 52.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 69.8 mm-40 -72.6 -45.79 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -88.1 -42.39 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' OD1' ' A' ' 90' ' ' ASN . 48.9 mm -69.9 112.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -49.66 -67.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -131.09 93.49 30.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.4 Cg_endo -69.83 110.07 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.6 p -118.84 162.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' HG22 ' A' ' 60' ' ' VAL . 4.8 p-10 -129.53 -177.49 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.653 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.0 m-85 -81.6 -27.21 34.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -70.61 -26.1 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -83.92 -51.64 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 62' ' ' PHE . 28.1 mt -43.07 -36.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.17 -35.68 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.24 -33.53 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -78.26 -36.21 47.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.67 -46.99 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -76.0 -24.04 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -93.92 18.04 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 41.36 34.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -77.38 -44.11 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.38 146.66 39.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -102.26 -23.65 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 p -167.2 175.01 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 77' ' ' LEU . 1.6 tm? -66.73 -42.47 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.82 4.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LEU . 8.1 t0 -61.69 -61.46 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 33.3 tp -36.28 -33.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 79' ' ' ASP . 15.9 tt0 -65.51 -57.77 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -40.72 -52.44 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.16 -70.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 112' ' ' PHE . 80.1 t -38.29 -57.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.5 mmt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' LEU . 12.7 tp -61.63 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 61' ' ' ASP . 5.4 tt -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.51 -41.92 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -55.33 -34.54 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.61 ' OD1' HG23 ' A' ' 56' ' ' ILE . 74.0 m-20 -64.29 -43.21 95.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.602 ' HB2' ' HE2' ' A' ' 40' ' ' PHE . . . -53.66 -57.68 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -50.27 -22.07 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.5 m -81.05 -56.44 4.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.681 ' CD2' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -74.85 -54.4 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.543 ' OD1' HD12 ' A' ' 101' ' ' ILE . 27.8 m-80 -65.05 157.68 27.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -84.18 165.14 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' SER . 17.4 mt-10 -65.77 161.84 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.55 31.66 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 42.0 t -93.6 159.4 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.336 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -41.5 -59.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.543 HD12 ' OD1' ' A' ' 95' ' ' ASN . 81.1 mt -66.61 -27.91 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE2' HD11 ' A' ' 106' ' ' ILE . 21.6 t80 -61.0 -67.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.707 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.4 mt-10 -42.65 -34.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -66.19 -45.0 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -56.19 -41.33 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.51 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -69.45 -33.67 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 103' ' ' GLU . 91.3 t -71.27 -62.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' VAL . 11.2 mt -36.72 -51.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.07 -53.86 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.1 t -52.42 -32.27 38.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' A' ' 28' ' ' TYR . 12.4 t -75.48 -32.35 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.589 ' CD1' HG11 ' A' ' 84' ' ' VAL . 60.5 t80 -65.24 -49.3 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -67.1 -45.32 77.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.0 t -58.89 -31.89 69.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.93 -39.07 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 118' ' ' SER . 5.1 pt20 -57.21 -46.29 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 117' ' ' GLN . 36.4 t -38.46 108.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 139.38 -172.09 23.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 163.59 37.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.3 t -38.82 147.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.5 p -131.66 45.07 2.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 167.51 24.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.96 32.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -75.7 -35.37 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.696 HD21 ' HE2' ' A' ' 18' ' ' MET . 8.0 tt -81.96 -59.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 14' ' ' LEU . 39.4 m -46.75 -49.75 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -53.82 -50.01 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -48.09 -52.46 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.696 ' HE2' HD21 ' A' ' 14' ' ' LEU . 6.7 mtt -54.96 -52.99 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -54.01 -57.34 11.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.01 -61.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.738 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 71.9 mt -47.49 -73.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 25' ' ' VAL . 17.2 mm -48.35 -65.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 37.7 t70 -35.59 -35.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ILE . 71.0 m -82.57 -42.56 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ILE . 50.4 t -63.43 -50.23 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 22' ' ' ILE . 89.9 mt -65.9 -32.77 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 97.6 m-20 -83.07 -23.25 33.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.4 t80 -54.4 134.91 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD23 ' CG ' ' A' ' 104' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.851 0.358 . . . . 0.0 110.979 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -49.52 -19.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -52.03 -50.87 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG21 HD12 ' A' ' 101' ' ' ILE . 2.5 m -75.69 3.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 108' ' ' LEU . 97.0 m-85 -120.57 14.25 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.604 HG22 ' HG3' ' A' ' 42' ' ' GLN . 34.6 mm -82.83 -69.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.604 ' HG3' HG22 ' A' ' 41' ' ' ILE . 9.8 mt-30 -107.67 153.75 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 14.2 mt -113.47 159.05 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.77 144.25 53.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -62.41 172.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -79.92 -26.73 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -77.05 -54.95 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.62 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 56.9 tp -124.51 81.73 59.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.84 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 3.2 pt-20 -40.67 -40.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' HG13 ' A' ' 56' ' ' ILE . 64.0 t80 -48.46 -44.14 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 46' ' ' ARG . 95.2 m-85 -77.54 -15.71 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 53.0 mm-40 -74.04 -49.11 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -82.04 -48.21 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.452 HG13 ' CE1' ' A' ' 52' ' ' TYR . 6.0 mm -65.55 132.94 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -76.64 -62.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -127.22 82.58 67.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.3 p -92.69 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' HG22 ' A' ' 60' ' ' VAL . 1.8 p-10 -123.47 -175.22 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' HA ' HD12 ' A' ' 65' ' ' ILE . 3.5 m-85 -84.1 -39.3 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.4 ' NZ ' ' HG2' ' A' ' 42' ' ' GLN . 19.5 mtmt -57.63 -31.82 66.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -77.39 -46.69 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 62' ' ' PHE . 38.5 mt -53.8 -40.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -74.4 -40.88 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.23 -28.48 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -72.12 -45.76 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.1 mt -55.52 -39.45 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -80.9 -12.02 59.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -101.26 12.8 36.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 50.58 30.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -74.83 -66.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -50.2 128.74 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -84.3 -43.19 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.4 t -138.61 167.11 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.3 tp -52.88 -47.83 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.59 -52.71 3.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.18 -45.82 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 84' ' ' VAL . 29.7 tp -57.0 -41.51 78.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.85 -42.18 98.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -44.84 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.3 m-20 -77.78 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.585 HG12 ' HE2' ' A' ' 85' ' ' MET . 93.0 t -36.82 -54.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.585 ' HE2' HG12 ' A' ' 84' ' ' VAL . 39.0 mmt -62.33 -33.91 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -67.04 -53.26 32.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.573 HD23 ' C ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -50.58 -30.87 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.66 -55.56 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -48.14 -50.07 30.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.61 -40.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 94' ' ' PHE . . . -66.04 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -42.94 -24.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 91' ' ' ALA . 62.5 m -81.79 -39.87 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.5 t80 -86.33 -57.16 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.869 ' ND2' HG21 ' A' ' 101' ' ' ILE . 38.9 m-80 -69.5 132.35 46.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.17 162.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 26.7 mt-10 -70.1 169.3 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.12 32.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -97.44 -177.0 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -50.35 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.869 HG21 ' ND2' ' A' ' 95' ' ' ASN . 11.5 mm -74.19 -27.85 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.629 ' CE2' HD11 ' A' ' 106' ' ' ILE . 54.2 t80 -58.29 -72.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.567 ' HA ' HD13 ' A' ' 106' ' ' ILE . 44.1 mt-10 -36.22 -51.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.434 ' CG ' HD23 ' A' ' 36' ' ' LEU . 6.2 m-20 -45.31 -57.38 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -44.09 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 106' ' ' ILE . 5.3 mp -58.47 -40.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.46 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 40' ' ' PHE . 29.5 mt -40.13 -38.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -64.64 -52.05 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -54.16 -34.32 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.445 HG21 ' CG ' ' A' ' 28' ' ' TYR . 12.4 t -73.44 -38.24 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 21' ' ' ILE . 87.5 t80 -57.08 -58.34 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -56.73 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -49.3 -50.61 38.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -45.19 -54.78 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ALA . 4.9 mtp-105 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.68 20.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -17.6 37.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -86.4 -33.68 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' A' ' 18' ' ' MET . 2.6 tm? -85.37 -56.17 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.2 m -48.18 -53.68 16.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLN . 39.8 mmtt -52.79 -46.42 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 21.7 tt0 -37.68 -61.0 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.538 ' HG3' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -48.02 -52.25 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -56.83 -58.06 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.22 -45.14 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 77' ' ' LEU . 77.4 mt -66.91 -72.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' HD12 ' A' ' 26' ' ' ILE . 13.1 mm -44.18 -58.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.1 m-20 -34.65 -55.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -55.36 24.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 89.8 t -47.54 -59.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.618 HD12 ' CG2' ' A' ' 22' ' ' ILE . 97.0 mt -61.31 -41.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -96.9 41.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.71 143.76 32.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.81 0.338 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -61.32 -9.17 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.43 -44.06 62.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.7 m -83.37 -0.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -113.67 3.41 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.608 HG22 ' HG3' ' A' ' 42' ' ' GLN . 4.9 mm -74.7 -74.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 41' ' ' ILE . 15.8 mt-30 -99.42 131.96 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.6 mt -91.3 157.46 42.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.78 126.97 13.91 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -58.79 159.3 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -66.27 -48.04 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -56.1 -42.0 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -71.01 -56.75 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -133.33 80.88 57.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -33.92 15.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 4.9 pt-20 -50.02 -36.41 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.584 ' CE1' HG13 ' A' ' 56' ' ' ILE . 76.2 t80 -59.49 -37.33 77.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -74.41 -16.63 60.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.55 -54.09 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.724 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -73.85 -47.13 40.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.584 HG13 ' CE1' ' A' ' 52' ' ' TYR . 4.5 mm -67.71 155.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' N ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -113.17 -45.36 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.743 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.8 mtmm -127.19 81.72 69.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.08 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.1 p -101.12 159.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 60' ' ' VAL . 2.9 m-20 -125.99 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.5 -18.07 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -82.43 -31.76 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -70.9 -48.54 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.02 -47.39 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.613 ' HA ' HD12 ' A' ' 69' ' ' ILE . 50.6 mtmt -68.32 -46.34 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 45.4 tt0 -39.5 -26.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' LYS . 1.3 mpt_? -86.95 -45.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 66' ' ' LYS . 66.6 mt -49.84 -51.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -71.31 -19.66 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 84.8 m-20 -99.12 7.27 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 45.44 50.47 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -93.69 -27.08 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -77.43 131.28 37.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.5 -38.23 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.9 m -153.42 164.62 37.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.659 HD11 HD12 ' A' ' 21' ' ' ILE . 13.5 tp -56.55 -42.33 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.86 -25.78 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.97 -53.51 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 84' ' ' VAL . 26.1 tp -39.73 -44.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.9 tt0 -54.94 -60.91 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' GLU . 31.9 mttm -35.93 -40.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.46 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 80' ' ' LEU . 15.0 t -44.33 -57.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.7 mmt -54.22 -37.79 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 58' ' ' LYS . 18.0 tp -63.37 -51.82 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 87' ' ' LEU . 2.8 tt -51.6 -30.58 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.19 -38.6 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -62.93 -42.82 99.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -51.16 -38.45 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.99 -26.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 m -75.85 -37.58 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.724 ' CD2' HD11 ' A' ' 55' ' ' LEU . 3.3 t80 -91.06 -57.82 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' HD12 ' A' ' 101' ' ' ILE . 14.9 m-80 -62.21 143.13 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 96' ' ' LEU . 3.9 mm? -64.77 166.29 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 25.3 mt-10 -71.58 162.89 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.26 33.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -95.42 168.18 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.66 -61.89 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.451 HD12 ' OD1' ' A' ' 95' ' ' ASN . 43.4 mt -64.88 -42.79 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.729 ' O ' HD12 ' A' ' 106' ' ' ILE . 18.6 t80 -42.73 -66.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 107' ' ' VAL . 23.4 mt-10 -40.1 -45.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -55.92 -57.57 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.6 p -43.26 -42.62 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 102' ' ' TYR . 5.2 mp -68.32 -44.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.8 t -57.7 -60.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.1 mt -35.61 -49.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.35 -62.59 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.403 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 39.9 t -46.1 -32.55 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.44 -42.33 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.617 ' CE1' HG21 ' A' ' 21' ' ' ILE . 60.7 t80 -52.54 -58.38 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 110' ' ' SER . 40.1 mtmt -52.93 -52.77 56.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -53.96 -33.03 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -78.96 -15.82 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.26 28.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.53 26.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -53.54 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.515 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 8.0 tt -66.79 -50.49 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -52.48 -56.02 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -48.51 -48.48 38.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -44.92 -52.73 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.515 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 40.1 mtt -49.59 -51.18 39.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -57.96 -52.52 65.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -47.37 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.612 ' CD1' HD11 ' A' ' 77' ' ' LEU . 61.2 mt -63.4 -67.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CG2' HD12 ' A' ' 26' ' ' ILE . 9.9 mm -48.08 -62.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 4.5 t70 -37.08 -59.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -34.47 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ILE . 47.7 t -70.21 -65.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 ' CG2' ' A' ' 22' ' ' ILE . 97.1 mt -55.58 -43.2 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 2.3 m-20 -63.46 -36.48 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.62 149.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 pttt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.884 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 ' HB2' HD21 ' A' ' 108' ' ' LEU . 2.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 p -44.56 -22.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 9.4 mm-40 -47.21 -48.6 23.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.477 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 12.6 m -81.74 -5.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 58.2 m-85 -115.29 13.18 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG22 ' HG3' ' A' ' 42' ' ' GLN . 24.2 mm -65.59 -75.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HG3' HG22 ' A' ' 41' ' ' ILE . 66.9 mt-30 -106.12 165.57 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.25 155.77 40.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.4 54.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' GLU . 43.5 m -73.1 122.92 22.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' SER . 20.1 ttp180 -36.31 -55.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.58 -42.57 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' SER . 31.6 mm-40 -67.86 -59.13 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 39.4 tp -129.44 77.04 78.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' GLU . 5.9 pt-20 -41.22 -49.36 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 56' ' ' ILE . 25.1 t80 -36.92 -44.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 59' ' ' PRO . 81.0 m-85 -70.12 -38.72 75.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' GLU . 7.1 mm-40 -48.38 -51.3 27.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -77.27 -48.77 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 52' ' ' TYR . 31.6 mm -69.59 117.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -67.24 -68.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG3' HD21 ' A' ' 86' ' ' LEU . 16.3 pttm -117.02 89.13 28.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 54.0 Cg_endo -69.77 151.22 68.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 87' ' ' LEU . 8.4 p -158.06 153.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.546 ' O ' HD12 ' A' ' 65' ' ' ILE . 4.6 p-10 -131.4 -175.22 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -74.37 -41.65 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -49.38 -50.83 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 61' ' ' ASP . 34.9 mt -47.86 -48.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.1 mtpp -65.45 -31.18 72.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -59.44 -53.06 62.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 38.8 mtp85 -47.19 -43.81 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -57.84 -57.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -64.77 -18.12 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' HIS . 35.3 m-20 -99.35 18.97 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' ASN . 82.6 m-70 36.08 40.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -91.05 -38.25 12.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 6.4 m-85 -57.96 110.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -55.31 -40.25 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -163.88 163.01 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.612 HD11 ' CD1' ' A' ' 21' ' ' ILE . 12.2 tp -49.23 -44.69 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.23 -49.44 6.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 m-20 -54.43 -54.28 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 50.6 tp -35.02 -50.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -51.67 -55.93 16.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -42.59 -46.87 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.18 -64.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.629 HG11 ' CD2' ' A' ' 112' ' ' PHE . 86.1 t -41.77 -56.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mmt -55.45 -39.73 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD21 ' HG3' ' A' ' 58' ' ' LYS . 26.3 tp -63.45 -42.17 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.496 ' HB2' HG13 ' A' ' 60' ' ' VAL . 3.0 tt -55.63 -41.75 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 45.2 m -68.57 -52.15 34.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ASN . 20.9 t60 -45.1 -54.47 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' HIS . 87.6 m-20 -37.88 -45.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 95' ' ' ASN . . . -59.85 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -43.73 -29.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -78.75 -47.83 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 1.7 t80 -70.48 -55.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.532 HD21 ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -81.32 164.39 22.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -88.87 -179.0 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 10.7 mt-10 -73.0 164.2 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.93 31.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.4 t -92.92 167.7 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -49.19 -59.83 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -70.63 -37.54 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 22.3 t80 -42.36 -69.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -39.4 -51.68 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.09 -54.3 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 p -51.83 -44.0 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.509 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.1 mp -62.73 -48.44 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.2 t -57.31 -60.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 36' ' ' LEU . 90.9 mt -34.61 -48.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.36 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 t -45.47 -36.85 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.9 t -68.57 -51.14 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.629 ' CD2' HG11 ' A' ' 84' ' ' VAL . 32.2 t80 -42.93 -62.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -42.88 -62.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -44.02 -42.58 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -62.74 -58.96 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.895 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 p30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.83 20.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.4 20.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.19 -56.89 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -47.81 -57.24 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -49.41 -59.84 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -44.63 -50.7 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.6 mtm -54.47 -59.59 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -53.26 -57.92 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.83 -39.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 25' ' ' VAL . 52.7 mt -71.18 -56.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.453 HG21 ' HG2' ' A' ' 66' ' ' LYS . 8.8 mm -63.45 -61.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.7 t70 -34.38 -45.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.8 m -67.74 -57.31 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 21' ' ' ILE . 97.3 t -46.38 -59.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.608 HG23 ' OG ' ' A' ' 37' ' ' SER . 96.4 mt -59.1 -39.58 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 75.1 m-20 -98.75 40.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 3.4 t80 -109.6 140.24 43.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 104' ' ' ASP . 7.1 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.851 0.358 . . . . 0.0 110.923 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.608 ' OG ' HG23 ' A' ' 26' ' ' ILE . 53.3 p -47.47 -20.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -43.24 -63.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -66.36 -8.33 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 49.8 m-85 -117.89 21.13 13.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG22 ' HD2' ' A' ' 63' ' ' LYS . 14.7 mm -68.93 -74.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' N ' HG22 ' A' ' 41' ' ' ILE . 8.7 pt20 -112.83 176.78 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.7 mt -129.37 157.02 77.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -41.74 147.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -60.53 -52.3 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.34 -59.6 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 26.6 tp -115.28 82.01 8.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.656 0.741 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -37.09 9.5 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 8.1 pt-20 -52.53 -45.34 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -48.03 -40.49 22.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.468 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 11.0 m-85 -79.66 -21.72 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.79 -54.38 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -72.81 -47.13 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -68.42 147.09 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -93.81 -46.47 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.733 ' CB ' HD21 ' A' ' 86' ' ' LEU . 25.0 mmmt -132.23 84.51 52.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 54.4 Cg_endo -69.7 83.61 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.663 HG21 ' OD1' ' A' ' 83' ' ' ASP . 5.2 p -107.15 165.21 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.651 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.8 p30 -145.86 -179.24 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 9.4 m-85 -68.58 -52.07 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HD2' HG22 ' A' ' 41' ' ' ILE . 18.3 mtpp -42.87 -41.26 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' ILE . 4.9 mmmm -72.53 -62.88 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.626 HG23 HD12 ' A' ' 80' ' ' LEU . 58.1 mt -38.03 -42.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HG2' HG21 ' A' ' 22' ' ' ILE . 6.2 mtpm? -72.86 -43.42 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.79 -46.44 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' CD ' ' HE3' ' A' ' 73' ' ' LYS . 69.9 mtt180 -59.33 -46.83 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.9 mt -52.37 -50.21 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.22 -25.64 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' HIS . 44.1 m-20 -94.45 20.1 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ASN . 7.6 m-70 36.42 35.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE3' ' CD ' ' A' ' 68' ' ' ARG . 6.8 ttpp -79.07 -51.55 9.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 5.3 m-85 -49.36 164.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -119.01 -36.83 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.3 m -160.77 156.38 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -41.48 -43.52 2.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.0 -39.88 3.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.29 -46.59 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.3 tp -62.52 -40.2 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.12 -61.26 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -54.09 -29.49 44.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.663 ' OD1' HG21 ' A' ' 60' ' ' VAL . 16.8 t0 -77.36 -38.26 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 80' ' ' LEU . 98.5 t -68.5 -54.19 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.8 mmt -57.91 -28.87 64.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.733 HD21 ' CB ' ' A' ' 58' ' ' LYS . 21.3 tp -73.54 -37.31 65.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.7 tt -61.27 -23.85 65.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.28 -51.43 7.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' ASN . 5.9 t60 -53.29 -54.04 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' HIS . 89.6 m-20 -36.37 -37.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.58 -53.74 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 mt-30 -50.63 -18.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.0 m -89.85 -53.55 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.675 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.8 t80 -83.44 -59.92 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.41 ' CG ' HG21 ' A' ' 101' ' ' ILE . 25.0 m-80 -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.49 156.94 9.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 17.5 mt-10 -94.85 157.97 15.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.71 29.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 m -110.06 178.88 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -44.89 -67.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.41 HG21 ' CG ' ' A' ' 95' ' ' ASN . 58.9 mt -49.68 -53.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 16.3 t80 -45.35 -60.48 2.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 107' ' ' VAL . 6.3 mm-40 -48.45 -44.44 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.536 ' OD1' HD22 ' A' ' 36' ' ' LEU . 38.9 t0 -57.86 -51.92 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.2 p -48.76 -41.65 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.7 mp -68.55 -37.25 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.2 t -59.52 -53.19 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' VAL . 77.8 mt -34.31 -55.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -41.7 -66.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t -41.98 -35.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.38 -48.2 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.493 ' CD2' HG11 ' A' ' 84' ' ' VAL . 31.3 t80 -53.77 -46.21 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -61.59 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.2 t -42.59 -37.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -69.44 -57.32 5.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.77 20.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -12.94 34.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -91.92 -20.09 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -96.02 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -43.99 -38.55 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLN . 1.7 tmtp? -67.76 -51.52 48.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' LYS . 13.0 tt0 -34.49 -54.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 mtt -61.81 -53.74 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -47.5 -49.18 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -59.31 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -53.85 -60.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 8.7 mm -56.14 -67.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -38.68 -38.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.488 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 33.2 m -64.19 -51.33 64.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . 58.9 t -65.92 -58.24 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 48.5 mt -41.82 -25.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' HA ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -99.76 -32.52 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.7 t80 -39.7 132.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 p -42.75 -24.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 16.4 mt-10 -43.38 -63.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.96 -8.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.67 ' CD2' HD11 ' A' ' 108' ' ' LEU . 85.7 m-85 -111.03 20.05 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 41' ' ' ILE . 8.7 mm -83.5 -57.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.456 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 17.5 pt20 -131.96 163.68 27.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 59' ' ' PRO . 16.2 mt -110.42 159.53 31.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.1 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ARG . 11.7 t -42.79 125.72 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.3 ttm180 -35.49 -42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.12 -52.61 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -59.3 -51.87 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 tp -132.92 79.7 62.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.36 12.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.85 -42.0 71.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.488 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 11.6 t80 -53.77 -27.5 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -87.35 -17.59 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.25 -57.97 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.75 -38.42 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 26.2 mm -75.27 119.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -61.15 -59.74 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 21.1 mttm -132.52 97.35 17.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.689 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HB2' HD13 ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.8 84.01 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.17 149.94 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.0 m-20 -140.47 168.55 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -52.34 -30.0 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 12.6 mtpp -65.29 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -86.08 -48.27 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -49.59 -36.22 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 69' ' ' ILE . 4.5 mmtp -78.85 -41.92 28.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.27 -59.89 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 22.9 mtt180 -43.74 -52.41 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 66' ' ' LYS . 65.4 mt -48.75 -45.82 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -70.24 -25.5 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -98.19 10.27 40.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 43.56 48.12 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -87.38 -37.35 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 20.6 m-85 -66.42 157.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -97.5 -37.45 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.9 p -168.39 159.47 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 tp -38.26 -37.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.7 -47.45 9.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -62.56 -58.03 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' ASP . 11.6 tp -34.42 -51.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.36 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -42.14 -44.54 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' A' ' 22' ' ' ILE . 79.8 t -69.02 -28.15 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -47.49 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.1 -57.64 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -38.53 -43.87 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.532 ' N ' HD23 ' A' ' 87' ' ' LEU . 88.6 m -67.1 -63.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -40.38 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.426 ' HB3' HD12 ' A' ' 56' ' ' ILE . 80.1 m-20 -37.33 -50.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -52.04 -45.13 64.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.406 HE21 ' CD1' ' A' ' 106' ' ' ILE . 70.6 mt-30 -70.02 -30.58 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.1 m -67.0 -32.15 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.3 t80 -94.47 -53.19 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.96 158.0 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.01 169.67 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 99' ' ' SER . 42.9 mp0 -79.2 169.44 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.4 30.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.2 t -94.16 165.45 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -53.35 -45.68 69.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.5 mt -75.86 -49.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.514 ' O ' HD12 ' A' ' 106' ' ' ILE . 54.9 t80 -37.25 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.57 -44.51 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.21 -59.27 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 p -45.06 -43.16 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 102' ' ' TYR . 3.1 mp -64.69 -34.39 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 110' ' ' SER . 99.2 t -72.5 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.67 HD11 ' CD2' ' A' ' 40' ' ' PHE . 42.7 mt -38.43 -36.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -66.66 -44.32 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' VAL . 1.7 t -62.1 -30.99 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.45 HG21 ' CG ' ' A' ' 28' ' ' TYR . 18.9 t -72.52 -43.35 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.482 ' CD2' HG11 ' A' ' 84' ' ' VAL . 22.5 t80 -58.16 -55.04 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.48 -52.08 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -56.2 -60.99 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.85 -31.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttt-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.913 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.09 43.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 -34.37 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' ' HE3' ' A' ' 18' ' ' MET . 2.1 tm? -82.6 -56.1 4.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -44.24 -42.6 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLN . 33.4 mttm -67.33 -57.23 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.7 tp60 -34.8 -57.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.52 ' HE3' ' CD1' ' A' ' 14' ' ' LEU . 8.0 mtm -54.2 -53.2 56.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -52.23 -49.71 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.64 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.515 HD11 HD11 ' A' ' 77' ' ' LEU . 38.7 mt -66.46 -66.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASP . 10.1 mm -48.21 -59.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ILE . 23.7 t0 -33.84 -53.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -63.42 -46.64 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.29 -60.27 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 22' ' ' ILE . 56.5 mt -56.88 -35.6 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.23 44.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD2' HG21 ' A' ' 111' ' ' VAL . 33.0 t80 -103.66 134.05 47.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.4 pttp . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 82.1 p -48.09 -19.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -49.01 -57.79 5.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.92 -3.1 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.47 18.38 16.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mm -88.22 -60.53 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.58 158.65 16.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.2 mt -127.07 156.19 74.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.65 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -41.48 146.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -54.21 -25.52 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -72.56 -56.67 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.31 -63.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 15.0 tp -119.41 83.49 26.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -41.85 3.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 16.7 pt-20 -47.88 -48.84 31.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CZ ' HG13 ' A' ' 56' ' ' ILE . 83.0 t80 -42.48 -48.57 5.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.61 -31.04 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' GLU . 73.3 mt-10 -60.39 -57.64 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.97 -44.17 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.483 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 19.1 mm -67.14 126.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -65.1 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 19.5 mtpt -132.49 93.18 25.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' LYS . 53.6 Cg_endo -69.78 91.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.918 HG11 ' OD1' ' A' ' 83' ' ' ASP . 12.7 p -104.64 133.84 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' PHE . 50.5 p-10 -111.82 148.33 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 6.8 m-85 -36.74 -63.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' PHE . 13.5 mtpp -34.58 -58.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 67' ' ' GLU . 16.1 tppt? -50.52 -59.2 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.5 mt -41.8 -37.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.97 -37.33 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' LYS . 10.1 tt0 -49.14 -51.69 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' ASN . 39.4 mtp85 -53.01 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.3 mt -38.44 -40.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -80.49 -34.09 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' ARG . 39.3 m-20 -87.59 22.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.68 -37.78 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 80' ' ' LEU . 3.8 m-85 -64.63 145.31 56.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -99.49 -34.93 10.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 m -163.59 157.72 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD11 HD11 ' A' ' 21' ' ' ILE . 1.4 tt -42.48 -51.57 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.28 -48.04 3.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 -55.51 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 74' ' ' TYR . 25.2 tp -41.44 -49.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.9 tt0 -49.87 -59.23 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 28.0 mtpp -34.41 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.918 ' OD1' HG11 ' A' ' 60' ' ' VAL . 10.4 t0 -73.7 -60.04 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 112' ' ' PHE . 85.3 t -40.08 -50.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.54 -32.81 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.4 tm? -67.53 -41.46 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -60.36 -37.9 82.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.408 ' N ' HD23 ' A' ' 87' ' ' LEU . 80.0 m -71.47 -58.4 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 89' ' ' HIS . 3.1 t60 -46.56 -47.21 19.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -52.79 -36.35 58.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.06 -59.71 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.83 -29.78 29.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.5 m -59.56 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.548 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.0 t80 -78.71 -53.44 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.03 165.51 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 4.2 mm? -92.27 162.85 14.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 99' ' ' SER . 30.5 mt-10 -68.33 159.56 31.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 33.96 32.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' GLU . 36.4 t -94.4 153.3 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 99' ' ' SER . 8.6 tp-100 -34.15 -57.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . 71.5 mt -68.61 -45.72 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.625 ' O ' HD12 ' A' ' 106' ' ' ILE . 20.5 t80 -36.72 -61.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 107' ' ' VAL . 36.3 mt-10 -49.52 -39.21 33.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 4.5 m-20 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -54.79 -43.02 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 102' ' ' TYR . 4.5 mp -67.49 -55.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' LEU . 95.4 t -50.8 -57.31 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.1 mt -36.03 -52.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -47.96 -58.17 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.16 -32.43 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 28' ' ' TYR . 15.3 t -72.62 -52.35 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CD1' HG11 ' A' ' 84' ' ' VAL . 75.2 t80 -52.44 -53.98 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -57.02 -46.04 82.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -59.25 -36.66 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.59 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' ' 14' ' ' LEU . 53.7 Cg_endo -69.72 168.62 21.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.98 17.46 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -72.51 -29.75 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -91.81 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -43.92 -43.51 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -68.96 -55.35 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.7 -56.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.7 mtm -53.04 -54.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -53.75 -59.47 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.28 -47.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.604 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 65.7 mt -59.76 -64.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.793 HG21 ' HD3' ' A' ' 66' ' ' LYS . 15.2 mm -53.2 -60.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.9 t0 -34.34 -48.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 m -66.32 -51.65 55.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 46.7 t -59.24 -23.26 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.592 HD12 ' CG2' ' A' ' 22' ' ' ILE . 73.4 mt -97.26 -25.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 10.7 p30 -105.62 16.57 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 29' ' ' LYS . 34.6 t80 -81.14 146.5 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CE2' ' A' ' 28' ' ' TYR . 9.9 ptpp? . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.805 0.336 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -53.02 -16.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -53.12 -44.05 67.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -80.85 -4.33 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.413 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 85.6 m-85 -115.01 13.74 17.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.796 HG22 ' HD2' ' A' ' 63' ' ' LYS . 36.3 mm -70.28 -57.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.9 -175.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.451 HD13 ' HE2' ' A' ' 52' ' ' TYR . 23.3 mt -134.41 158.43 75.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 132.24 22.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 t -50.93 156.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -64.8 -46.49 81.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -44.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.97 -56.84 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' HG2' ' A' ' 51' ' ' GLU . 51.8 tp -123.95 75.27 57.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.82 15.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 49' ' ' LEU . 5.4 pt-20 -55.75 -38.06 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' HE2' HD13 ' A' ' 43' ' ' LEU . 72.3 t80 -57.19 -21.73 35.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.9 -7.18 37.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.18 -53.85 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -75.39 -34.21 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 90' ' ' ASN . 38.6 mm -78.91 139.56 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -82.33 -58.16 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -132.37 85.51 48.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.55 0.69 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.591 HG22 ' N ' ' A' ' 61' ' ' ASP . 15.0 p -94.81 164.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -136.33 153.63 51.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -54.12 -28.98 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HD2' HG22 ' A' ' 41' ' ' ILE . 19.5 mtpp -65.85 -25.85 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.99 -48.45 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.99 -35.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.793 ' HD3' HG21 ' A' ' 22' ' ' ILE . 2.6 mmmm -80.09 -37.02 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.01 -41.8 62.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.6 mtt-85 -65.65 -54.83 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.9 mt -46.85 -56.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 10.4 ptm180 -59.36 -31.64 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 26.0 m-20 -94.47 20.68 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 39.24 29.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HZ3' ' HA ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -66.49 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 12.8 m-85 -37.86 146.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -92.42 -34.73 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 77' ' ' LEU . 35.3 p -165.77 152.25 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' SER . 4.0 tp -35.97 -42.94 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.4 -48.37 3.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.37 -49.57 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.68 -64.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LYS . 59.1 tt0 -41.62 -63.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 81' ' ' GLU . 41.7 mtmt -35.76 -47.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -49.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 112' ' ' PHE . 89.8 t -49.63 -54.51 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.4 mmt -62.4 -28.92 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -53.04 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB2' HG13 ' A' ' 60' ' ' VAL . 1.0 OUTLIER -49.67 -37.86 30.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 74.6 m -77.19 -51.65 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -49.72 -54.33 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.508 ' CG ' HG23 ' A' ' 56' ' ' ILE . 51.9 m-20 -49.62 -36.6 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -60.78 -63.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -47.15 -35.34 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.2 m -61.72 -36.74 81.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.1 t80 -92.97 -58.8 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.402 ' OD1' HD12 ' A' ' 101' ' ' ILE . 6.4 m-80 -58.35 135.19 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.07 153.91 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.854 ' N ' HD13 ' A' ' 96' ' ' LEU . 28.0 mt-10 -67.89 171.25 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.89 31.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -98.25 -178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -65.02 -56.68 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.402 HD12 ' OD1' ' A' ' 95' ' ' ASN . 81.9 mt -66.24 -47.56 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 41.0 t80 -38.19 -70.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -40.0 -40.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 1.0 OUTLIER -60.97 -55.96 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.9 p -44.39 -37.08 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.41 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -72.36 -38.27 60.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' LEU . 57.9 t -63.61 -57.13 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' VAL . 37.7 mt -35.93 -48.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -51.54 -55.61 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -34.43 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.4 t -71.39 -43.98 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CD1' HG11 ' A' ' 84' ' ' VAL . 62.4 t80 -50.15 -63.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 116' ' ' ARG . 21.8 mtpt -44.54 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m -38.14 -47.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -54.77 -40.55 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' LYS . 36.0 tpt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 160.07 51.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.78 35.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -86.19 -38.49 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.72 -54.17 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 m -51.93 -53.28 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -46.14 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -40.59 -54.79 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' A' ' 74' ' ' TYR . 7.8 mtt -50.89 -51.49 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.475 ' ND2' HG21 ' A' ' 69' ' ' ILE . 10.6 m-80 -60.81 -59.63 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.64 -44.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CD1' HD11 ' A' ' 77' ' ' LEU . 53.4 mt -65.67 -72.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.596 ' CG2' HD12 ' A' ' 26' ' ' ILE . 14.3 mm -43.81 -55.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' ILE . 15.4 t0 -38.18 -50.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.3 m -66.61 -59.2 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.4 t -45.46 -62.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.596 HD12 ' CG2' ' A' ' 22' ' ' ILE . 80.1 mt -52.56 -41.74 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -100.69 46.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 8.8 t80 -103.82 153.14 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 19.0 pttp . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.0 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.857 0.36 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 40' ' ' PHE . 3.9 p -42.56 -24.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 21.4 mt-10 -36.53 -70.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.448 HG21 HD12 ' A' ' 101' ' ' ILE . 2.1 m -62.96 -15.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.669 ' HB3' HD11 ' A' ' 87' ' ' LEU . 50.8 m-85 -103.95 20.36 18.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mm -85.0 -67.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 11.5 tm0? -119.06 147.02 44.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.489 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 11.5 mt -98.62 156.02 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.9 66.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -67.08 120.09 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -42.16 -43.3 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -50.55 -49.18 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -73.58 -45.27 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' CG ' ' A' ' 51' ' ' GLU . 41.6 tp -127.73 76.37 77.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.09 3.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.4 ' CG ' HD12 ' A' ' 49' ' ' LEU . 6.4 pt-20 -46.74 -43.82 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' HE2' HD13 ' A' ' 43' ' ' LEU . 63.4 t80 -50.14 -35.98 28.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -81.51 -20.86 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.57 -55.84 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.96 -40.83 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.579 HG23 ' OD1' ' A' ' 90' ' ' ASN . 14.2 mm -74.58 134.46 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -80.81 -57.97 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.68 86.78 57.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.74 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.541 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.2 p -109.8 163.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 87' ' ' LEU . 14.8 m-20 -142.95 -176.82 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' HG12 ' A' ' 26' ' ' ILE . 29.1 m-85 -71.1 -17.86 62.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' C ' ' HE2' ' A' ' 64' ' ' LYS . 19.0 mtpp -78.19 -28.43 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -88.47 -43.42 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.31 -52.05 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' GLU . 24.3 mttt -59.86 -55.43 34.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LYS . 23.3 mt-10 -38.13 -53.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -50.36 -49.15 54.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.475 HG21 ' ND2' ' A' ' 19' ' ' ASN . 82.2 mt -51.12 -65.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -12.39 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.17 1.22 57.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 56.49 36.94 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -49.74 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.43 ' HB3' ' CE ' ' A' ' 18' ' ' MET . 4.9 m-85 -49.94 118.36 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -74.58 -38.0 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -152.1 172.13 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 21' ' ' ILE . 32.6 tp -63.34 -33.55 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.89 88.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.39 -43.09 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 84' ' ' VAL . 45.0 tp -55.41 -49.66 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.424 ' OE1' ' CE1' ' A' ' 112' ' ' PHE . 4.6 tp10 -48.3 -54.64 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -44.43 -54.22 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.86 -53.91 49.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 112' ' ' PHE . 99.2 t -46.59 -54.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.2 mmt -60.33 -29.28 68.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -67.4 -54.91 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -46.62 -37.64 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 57.2 m -72.46 -57.27 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -45.29 -60.08 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 56' ' ' ILE . 62.8 m-20 -40.44 -29.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -69.44 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.425 HE21 HD11 ' A' ' 106' ' ' ILE . 84.3 mt-30 -56.09 -22.35 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.1 m -76.03 -28.67 57.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.8 t80 -103.52 -57.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.552 ' ND2' HG21 ' A' ' 101' ' ' ILE . 41.2 m-80 -67.65 138.88 56.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mp -52.72 -178.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 30.7 mt-10 -84.58 165.11 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.18 32.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 40.8 t -97.81 166.66 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.817 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -41.9 -51.74 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.552 HG21 ' ND2' ' A' ' 95' ' ' ASN . 7.4 mm -67.69 -49.24 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' O ' HD12 ' A' ' 106' ' ' ILE . 8.7 t80 -41.19 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -48.97 -54.94 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.98 -46.66 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 108' ' ' LEU . 5.4 p -59.53 -44.04 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.0 -42.02 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 111' ' ' VAL . 97.1 t -63.09 -55.31 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 105' ' ' SER . 62.3 mt -38.86 -44.51 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -55.95 -55.45 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -53.57 -24.08 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 107' ' ' VAL . 6.0 t -82.98 -47.42 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD2' HG11 ' A' ' 84' ' ' VAL . 51.1 t80 -54.97 -50.05 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -56.6 -64.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -52.91 -39.14 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -69.53 -45.62 68.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.73 -57.44 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 m -42.79 -49.02 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLN . 53.6 mttm -59.84 -58.47 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . 36.8 tt0 -35.63 -56.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.8 mtt -51.65 -52.17 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ALA . 69.0 m-20 -58.16 -59.62 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -36.19 -36.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.567 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 49.9 mt -71.96 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -49.03 -56.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 10.0 t70 -38.14 -59.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.8 m -56.7 -41.36 77.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 21' ' ' ILE . 99.1 t -62.1 -62.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.7 mt -57.81 -36.47 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 43.2 m-20 -69.95 -39.73 75.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -41.25 148.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 p -42.45 -23.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.6 mt-10 -50.62 -51.54 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -73.93 2.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.73 4.99 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mm -73.11 -73.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -99.36 152.49 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.3 mt -103.05 159.21 29.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.646 0.736 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.76 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -47.67 135.97 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PRO . 83.6 mtm180 -53.01 -41.34 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -54.47 -54.79 36.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.07 -55.83 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.555 HD21 ' CE2' ' A' ' 94' ' ' PHE . 59.0 tp -125.58 74.78 69.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.74 -49.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG2' HD12 ' A' ' 49' ' ' LEU . 9.5 pt-20 -40.42 -43.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.469 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 2.5 t80 -43.87 -42.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -72.0 -32.35 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -56.49 -61.69 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -63.73 -47.34 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.71 135.79 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -87.98 -63.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -111.73 81.23 3.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 80.0 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -95.03 152.54 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' HD12 ' A' ' 87' ' ' LEU . 1.2 p-10 -129.06 -176.06 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.38 -36.41 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 14.8 mmmt -58.76 -48.13 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -61.34 -59.27 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -39.01 -47.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -62.95 -54.59 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 63' ' ' LYS . 1.4 mp0 -43.51 -60.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 9.4 mmm180 -37.99 -50.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mt -55.99 -43.57 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -70.67 -30.39 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' HIS . 31.8 m-20 -94.33 21.36 7.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ASN . 56.8 m-70 37.71 51.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -41.97 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.1 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -91.15 -38.71 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 t -150.15 169.52 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.37 -49.31 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.38 -40.33 2.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -57.25 -51.99 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 84' ' ' VAL . 40.6 tp -51.78 -43.67 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.79 -48.47 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.98 -54.87 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -61.14 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.648 HG11 ' CD1' ' A' ' 112' ' ' PHE . 90.9 t -39.43 -57.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.614 ' HE2' HG12 ' A' ' 84' ' ' VAL . 38.2 mmt -59.34 -38.21 79.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.51 HD13 ' ND2' ' A' ' 90' ' ' ASN . 1.0 OUTLIER -60.04 -47.13 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.2 tt -56.48 -30.92 63.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.3 m -83.84 -16.41 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.34 -59.24 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.51 ' ND2' HD13 ' A' ' 86' ' ' LEU . 1.1 p30 -51.97 -31.07 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.62 -30.49 70.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 94.9 m -62.48 -46.36 88.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CE2' HD21 ' A' ' 49' ' ' LEU . 2.5 t80 -79.82 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.47 152.65 33.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.97 160.11 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 14.4 mp0 -69.72 161.51 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.36 32.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.7 t -92.23 -174.97 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.67 -62.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.77 -40.62 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 19.2 t80 -41.44 -66.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.51 -41.79 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -59.16 -53.33 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.0 p -47.44 -34.01 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.0 mp -78.46 -41.99 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.9 t -60.83 -61.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 107' ' ' VAL . 54.4 mt -36.42 -45.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -56.49 -56.56 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.7 m -50.8 -25.65 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 t -83.39 -40.75 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CD1' HG11 ' A' ' 84' ' ' VAL . 45.9 t80 -57.49 -41.45 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -46.65 77.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -53.41 -42.56 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -65.55 -44.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.892 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 169.96 17.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -64.04 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.533 HD23 ' SD ' ' A' ' 18' ' ' MET . 6.9 tt -81.12 -59.15 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.3 m -42.6 -52.47 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -57.73 -45.25 86.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' HG2' HD22 ' A' ' 77' ' ' LEU . 33.0 tp60 -38.15 -54.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.73 -57.05 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' ILE . 71.9 m-80 -58.18 -60.73 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.81 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 25' ' ' VAL . 45.9 mt -82.51 -48.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.601 ' CG2' HD12 ' A' ' 26' ' ' ILE . 17.0 mm -65.6 -53.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -45.6 -22.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -94.16 -33.57 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 21' ' ' ILE . 87.7 t -75.47 -51.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 ' CG2' ' A' ' 22' ' ' ILE . 94.9 mt -62.96 -35.46 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.534 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -71.11 -42.78 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' HB2' HG11 ' A' ' 111' ' ' VAL . 20.7 t80 -36.48 148.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttm . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.794 0.331 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 p -43.06 -24.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.2 -57.96 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.01 -3.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.671 ' CD2' HD11 ' A' ' 108' ' ' LEU . 97.7 m-85 -113.6 8.63 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 ' HD2' ' A' ' 63' ' ' LYS . 10.1 mm -74.73 -56.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 167.38 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 15.7 mt -114.8 159.92 35.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.79 120.95 7.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -39.99 155.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -68.65 -57.34 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -43.95 -44.3 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.16 -52.41 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD11 ' CD ' ' A' ' 51' ' ' GLU . 12.4 tp -131.98 79.34 67.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.638 ' CD ' HD11 ' A' ' 49' ' ' LEU . 6.7 pt-20 -70.05 -41.4 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 8.1 t80 -52.98 -22.95 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -94.6 -29.09 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.3 -61.41 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -66.63 -43.19 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 49.8 mm -70.34 130.93 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.6 mmm180 -71.78 -63.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.6 mttm -130.22 88.81 46.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HB2' HD13 ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.77 111.93 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -130.46 148.98 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -124.07 -179.39 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' LYS . 8.9 m-85 -65.43 -67.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.511 ' HD2' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -39.62 -26.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.68 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 57.9 mt -42.19 -42.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 69' ' ' ILE . 36.2 mtmt -69.02 -33.95 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 18.4 tp10 -60.01 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 13.8 mmm-85 -82.52 -47.71 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 66' ' ' LYS . 82.0 mt -46.66 -56.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -62.48 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' HIS . 86.8 m-20 -85.33 21.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 35.3 m-70 35.66 37.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -46.7 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -65.41 120.94 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -42.85 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.1 p -154.22 170.81 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 21' ' ' ILE . 24.1 tp -50.4 -47.79 56.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.88 -41.38 2.55 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.6 -53.44 56.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 16.2 tp -43.68 -50.65 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.1 tt0 -48.46 -63.86 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.3 mtmm -37.25 -38.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.95 -58.35 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.758 HG11 ' CD1' ' A' ' 112' ' ' PHE . 92.1 t -41.94 -55.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.407 ' HE2' HG12 ' A' ' 84' ' ' VAL . 34.7 mmt -59.94 -32.02 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 58' ' ' LYS . 12.8 tp -69.2 -52.84 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -53.43 -28.66 31.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 m -87.34 -19.0 28.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -84.39 -57.63 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -19.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.54 -34.96 60.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -82.22 -29.78 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -62.25 -37.35 85.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -87.77 -59.28 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.744 ' OD1' HD12 ' A' ' 101' ' ' ILE . 16.8 m-80 -60.56 165.05 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.11 169.09 12.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.1 mt-10 -73.54 162.65 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.74 30.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -91.18 177.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -58.14 -54.03 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.744 HD12 ' OD1' ' A' ' 95' ' ' ASN . 71.9 mt -71.31 -41.83 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 13.1 t80 -44.48 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -40.6 -45.03 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -56.28 -55.8 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.7 p -45.28 -36.06 3.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.4 -38.33 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 111' ' ' VAL . 90.5 t -65.21 -62.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.671 HD11 ' CD2' ' A' ' 40' ' ' PHE . 29.2 mt -39.08 -41.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 t -56.52 -27.82 58.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 28' ' ' TYR . 3.8 t -78.58 -41.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.758 ' CD1' HG11 ' A' ' 84' ' ' VAL . 71.3 t80 -55.83 -53.91 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -49.01 -56.22 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -60.58 -38.48 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -38.51 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.61 0.719 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.17 19.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.05 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -75.17 -35.66 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.4 tt -84.2 -57.37 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 94.3 m -51.59 -53.43 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 19.8 tptm -45.65 -52.59 10.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -41.64 -49.37 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.8 mtt -52.72 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -44.67 -47.85 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.08 -35.32 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' A' ' 115' ' ' ALA . 34.2 mt -81.1 -65.71 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.698 ' CG2' HD12 ' A' ' 26' ' ' ILE . 21.5 mm -46.68 -53.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' ILE . 8.1 t70 -35.4 -59.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 28' ' ' TYR . 92.4 m -55.64 -67.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.66 -62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.698 HD12 ' CG2' ' A' ' 22' ' ' ILE . 51.1 mt -54.95 -33.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -106.02 30.55 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -104.76 152.42 22.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 47.5 pttt . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.8 mt . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.3 p -61.02 -22.11 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -50.25 -41.96 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 36' ' ' LEU . 2.8 m -82.16 -8.01 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 108' ' ' LEU . 80.6 m-85 -114.05 18.36 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.457 HG22 ' HD2' ' A' ' 63' ' ' LYS . 34.6 mm -75.14 -64.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -107.78 154.62 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -112.96 156.31 42.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 119.91 6.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p -59.13 146.8 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -50.17 -49.98 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -44.51 -43.67 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -76.55 -57.38 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 44.8 tp -133.02 86.99 41.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -38.07 8.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.6 pt-20 -50.79 -43.04 58.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.423 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 88.4 t80 -44.35 -32.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -86.58 -28.8 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 34.9 mm-40 -59.52 -48.02 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -82.04 -47.05 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.28 134.7 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -83.22 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.543 ' HB2' HD21 ' A' ' 86' ' ' LEU . 44.3 mttt -123.43 82.75 52.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 80.23 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 61' ' ' ASP . 14.7 p -88.83 154.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -128.52 169.26 14.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' HA ' HD12 ' A' ' 65' ' ' ILE . 13.1 m-85 -69.29 -14.01 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HD2' HG22 ' A' ' 41' ' ' ILE . 22.1 mtpp -80.79 -24.27 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 1.4 mmpt? -88.2 -39.27 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 62' ' ' PHE . 26.9 mt -60.51 -38.16 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HA ' HD12 ' A' ' 69' ' ' ILE . 33.7 mttt -71.97 -53.24 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -45.16 -56.13 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 10.7 mmm180 -43.71 -51.48 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 66' ' ' LYS . 48.4 mt -53.38 -36.76 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -76.15 -37.33 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.49 22.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 39.98 42.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.05 -58.61 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -56.0 147.75 19.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -102.19 -35.9 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.5 p -160.43 173.58 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 77' ' ' LEU . 2.6 mm? -51.82 -34.59 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -21.3 9.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.87 -33.49 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 84' ' ' VAL . 12.0 tp -74.28 -44.78 51.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.09 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.05 -31.05 64.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -38.35 23.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 80' ' ' LEU . 89.4 t -68.05 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 32.6 mmt -51.18 -26.6 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 58' ' ' LYS . 43.8 tp -74.32 -48.59 27.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 87' ' ' LEU . 3.7 tt -53.32 -26.39 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.5 m -86.74 -36.67 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 89' ' ' HIS . 3.0 t60 -69.5 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 58' ' ' LYS . 70.4 m-20 -51.57 -32.95 30.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.81 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.453 HE21 HD11 ' A' ' 106' ' ' ILE . 92.0 mt-30 -71.01 -20.91 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.8 m -74.09 -33.52 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.643 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.6 t80 -94.98 -58.3 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -52.72 172.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.532 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 8.9 mp -94.16 174.23 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 99' ' ' SER . 4.1 mp0 -86.32 163.42 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.26 29.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.8 t -92.32 174.56 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -61.25 -54.36 45.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.15 -46.58 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 24.7 t80 -41.8 -55.68 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -51.89 -38.73 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.22 -59.92 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.94 ' HA ' HD12 ' A' ' 108' ' ' LEU . 78.1 p -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.37 -50.16 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 111' ' ' VAL . 96.1 t -59.11 -51.83 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' A' ' 105' ' ' SER . 23.8 mt -35.83 -57.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -45.78 -59.45 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.2 t -49.5 -27.6 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 107' ' ' VAL . 14.7 t -80.1 -34.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -64.22 -50.57 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.54 -58.88 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -48.11 -42.07 28.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . -49.69 -59.79 3.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' ALA . 14.6 mtp85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.9 26.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -24.94 29.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -71.03 -47.03 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 5.2 tt -72.97 -56.49 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.6 m -50.11 -44.22 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.44 -43.15 95.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.629 ' HG2' HD11 ' A' ' 77' ' ' LEU . 18.7 tt0 -52.95 -47.12 68.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.41 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 8.9 mtm -63.43 -45.79 89.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 74.3 m-20 -59.74 -58.66 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.5 -43.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.674 HG21 ' CE1' ' A' ' 112' ' ' PHE . 19.2 mt -63.27 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.624 ' CG2' HD12 ' A' ' 26' ' ' ILE . 12.1 mm -57.98 -57.63 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.6 t0 -34.17 -47.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.1 m -69.9 -44.42 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' ILE . 76.6 t -59.01 -52.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.624 HD12 ' CG2' ' A' ' 22' ' ' ILE . 76.2 mt -63.73 -38.34 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -95.32 34.98 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 6.9 t80 -106.96 154.96 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 64.8 mttt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.844 0.354 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p -39.24 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' LEU . 64.1 mt-10 -50.57 -51.44 48.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 9.2 m -73.53 2.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 42.3 m-85 -125.21 17.93 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.8 mm -75.24 -72.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -114.02 151.62 32.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -92.93 157.72 38.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.47 69.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t -68.79 119.37 13.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 4.3 tmm_? -37.55 -34.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -68.21 -46.13 71.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' SER . 5.6 mm-40 -69.1 -51.88 34.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 94' ' ' PHE . 10.8 tp -126.03 76.03 71.77 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.559 0.695 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -47.92 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -41.44 -46.11 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.35 -43.1 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -71.91 -30.22 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.87 -58.91 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 56' ' ' ILE . 12.7 mm -63.61 139.44 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -92.71 -61.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -118.14 84.9 23.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 128.15 15.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.545 HG21 ' OD2' ' A' ' 83' ' ' ASP . 4.0 p -153.52 154.08 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.2 p30 -132.35 -175.49 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.59 -34.43 77.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -45.67 -47.0 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.403 HG23 ' OH ' ' A' ' 74' ' ' TYR . 96.8 mt -51.35 -41.94 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.19 -38.78 42.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -47.53 -37.98 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -75.02 -29.67 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.44 -73.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.471 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -52.74 -30.62 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 30.7 m-20 -72.26 -22.37 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 18.1 m-70 72.47 54.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -109.98 -39.59 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.403 ' OH ' HG23 ' A' ' 65' ' ' ILE . 2.7 m-85 -47.82 145.86 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.39 -36.0 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 m -173.11 163.93 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 17' ' ' GLN . 6.4 mt -46.0 -44.22 14.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.66 -33.75 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.1 m-20 -72.17 -57.84 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 84' ' ' VAL . 37.6 tp -35.3 -43.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' LYS . 43.5 tt0 -61.78 -56.95 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . 13.4 mmtp -34.32 -48.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.545 ' OD2' HG21 ' A' ' 60' ' ' VAL . 9.2 t0 -73.27 -55.3 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 80' ' ' LEU . 96.8 t -40.15 -57.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.9 mmt -56.12 -43.84 78.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.76 -49.47 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -49.91 -35.51 24.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.1 m -74.17 -40.13 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' ASN . 11.7 t60 -57.73 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' HIS . 78.5 m-20 -36.49 -45.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' ' 95' ' ' ASN . . . -63.87 -59.18 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -47.68 -20.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.9 m -89.55 -50.33 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 49' ' ' LEU . 1.5 t80 -64.8 -59.41 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.559 HD21 ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -76.29 135.8 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.88 173.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.8 mp0 -79.52 167.03 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.11 27.74 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.2 t -92.04 174.83 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -59.41 -46.67 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.0 mt -77.17 -29.16 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 23.7 t80 -59.05 -69.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.54 -48.5 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -47.47 -52.26 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 108' ' ' LEU . 13.4 p -53.01 -38.63 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.0 mp -68.41 -41.2 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' LEU . 84.4 t -63.22 -54.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 105' ' ' SER . 61.1 mt -36.11 -59.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -43.24 -57.66 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t -47.32 -29.92 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 t -81.41 -43.21 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CE1' HG21 ' A' ' 21' ' ' ILE . 77.1 t80 -63.63 -55.29 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.24 -58.66 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 m -57.12 -45.27 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -47.02 -51.83 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.914 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.69 23.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.43 36.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -80.93 -54.07 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.3 -45.01 93.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.501 HG22 ' ND2' ' A' ' 19' ' ' ASN . 8.5 m -60.27 -65.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 31.3 tttp -37.44 -42.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -60.36 -47.19 87.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' THR . 6.4 mtt -58.7 -63.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.501 ' ND2' HG22 ' A' ' 15' ' ' THR . 1.9 p30 -55.7 -35.23 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . -56.86 -37.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.76 -60.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASP . 8.0 mm -55.81 -58.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.2 t0 -34.23 -50.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.7 m -63.02 -60.3 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' HG11 ' A' ' 111' ' ' VAL . 74.1 t -45.48 -55.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' HD3' ' A' ' 66' ' ' LYS . 57.6 mt -60.92 -40.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -96.94 36.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 2.8 t80 -109.98 140.34 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 pttp . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 36' ' ' LEU . 2.9 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -15.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -39.46 66.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.1 m -85.82 1.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 80.3 m-85 -119.83 9.07 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -66.04 -74.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -100.12 164.47 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.4 mt -121.47 157.97 54.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.45 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.376 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -48.87 174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -80.42 -40.98 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -63.11 -50.57 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.18 -59.13 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 51' ' ' GLU . 25.6 tp -131.01 84.27 58.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -41.25 4.45 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 49' ' ' LEU . 4.6 pt-20 -49.61 -39.27 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -49.28 -37.87 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.86 -19.41 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -70.3 -61.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -66.7 -44.96 80.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.63 139.36 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -83.55 -61.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HB2' HD21 ' A' ' 86' ' ' LEU . 17.0 mttp -128.4 82.96 67.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 81.66 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.767 HG11 ' OD1' ' A' ' 83' ' ' ASP . 7.8 p -88.05 154.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.09 166.13 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -65.89 -25.85 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.64 -53.66 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.37 -42.02 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.1 mt -54.67 -40.23 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HD3' HD12 ' A' ' 26' ' ' ILE . 23.4 mtmm -79.77 -39.42 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.74 -20.95 9.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -84.38 -37.09 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.06 -35.38 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.77 -22.78 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -94.09 18.63 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 42.54 40.6 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -85.36 -63.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -39.18 116.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 -68.76 -31.43 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -160.15 163.23 33.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.5 -48.64 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.63 -39.13 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.09 -55.78 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 84' ' ' VAL . 29.2 tp -42.29 -39.43 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' LYS . 42.6 tt0 -60.99 -64.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' GLU . 88.1 mttt -36.78 -40.54 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.767 ' OD1' HG11 ' A' ' 60' ' ' VAL . 41.2 t0 -73.62 -62.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 80' ' ' LEU . 96.7 t -37.8 -57.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.2 mmt -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 58' ' ' LYS . 18.9 tp -67.52 -58.02 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB2' HG13 ' A' ' 60' ' ' VAL . 1.8 tt -43.26 -29.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.1 m -85.8 -41.37 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -60.01 -62.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -39.06 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.5 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.95 -40.6 96.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.0 m -51.69 -30.99 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.6 t80 -97.96 -55.62 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -63.24 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -72.65 178.56 4.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 1.4 mp0 -92.9 158.52 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.29 25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 p -88.75 170.96 10.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.345 . . . . 0.0 110.85 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -50.3 -50.75 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.17 -48.11 44.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CE2' HD11 ' A' ' 106' ' ' ILE . 49.8 t80 -39.01 -66.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 107' ' ' VAL . 33.1 mt-10 -37.11 -36.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -60.44 -61.39 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.8 p -40.63 -30.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.6 mp -83.18 -44.24 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 103' ' ' GLU . 88.3 t -62.89 -54.98 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.417 HD11 ' CE1' ' A' ' 40' ' ' PHE . 45.6 mt -37.78 -42.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.4 -58.35 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.2 t -48.99 -24.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 25' ' ' VAL . 21.0 t -82.83 -44.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 84' ' ' VAL . 10.5 t80 -60.1 -43.31 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -62.98 -60.68 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -54.62 -28.86 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.51 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.78 23.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -13.35 34.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -84.78 -40.86 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tt -77.92 -50.93 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.0 m -50.48 -51.36 47.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.14 -37.43 82.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -57.71 -51.23 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mtm -55.29 -49.45 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -58.73 -44.31 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -46.18 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.93 -65.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.9 mm -51.53 -62.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 15.5 t70 -39.75 -50.18 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -60.19 -35.97 76.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.528 HG22 HG12 ' A' ' 111' ' ' VAL . 73.1 t -74.24 -70.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 62' ' ' PHE . 82.2 mt -43.36 -43.73 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 77.4 m-20 -61.59 -41.32 97.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.694 ' CD2' HG21 ' A' ' 111' ' ' VAL . 4.6 t80 -35.74 148.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 9.2 ptpp? . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.822 0.344 . . . . 0.0 110.908 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 80.7 p -40.49 -28.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' LEU . 13.1 mt-10 -41.97 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -55.35 -13.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 87' ' ' LEU . 89.6 m-85 -107.02 21.02 18.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 63' ' ' LYS . 15.6 mm -93.89 -67.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.425 ' HG3' ' CD ' ' A' ' 63' ' ' LYS . 12.8 mt-30 -109.91 138.33 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 52' ' ' TYR . 19.3 mt -85.0 158.86 58.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 138.29 37.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.4 t -51.02 134.77 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.12 -47.76 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.38 -42.76 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -63.58 -52.82 59.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 28.7 tp -134.39 82.24 46.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.2 8.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 10.5 pt-20 -52.6 -44.25 65.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 43' ' ' LEU . 35.4 t80 -43.82 -40.76 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.409 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 79.9 m-85 -80.42 -22.53 41.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 35.3 mt-10 -67.99 -62.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.85 -48.24 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.38 134.01 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -77.36 -62.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -127.79 87.17 56.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.546 0.688 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.73 94.6 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.536 HG22 ' N ' ' A' ' 61' ' ' ASP . 5.6 p -103.51 159.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.746 ' HA ' HD12 ' A' ' 87' ' ' LEU . 9.0 m-20 -142.38 156.04 45.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 26' ' ' ILE . 3.5 m-85 -43.37 -51.61 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.425 ' CD ' ' HG3' ' A' ' 42' ' ' GLN . 11.9 mtpp -45.37 -44.06 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.89 -50.99 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.27 -45.95 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' GLU . 9.0 mtpm? -72.3 -50.66 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' LYS . 33.5 tt0 -36.92 -34.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -72.73 -56.04 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -42.96 -41.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 70' ' ' ARG . 1.3 ptp180 -77.46 -29.87 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -90.85 8.66 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 49.88 33.87 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -75.57 -44.68 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -52.6 147.67 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -94.92 -34.81 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 t -168.35 175.88 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -52.66 -58.19 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.1 -42.83 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.2 t0 -55.39 -59.75 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ASP . 59.3 tp -34.68 -54.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 30.3 tt0 -48.97 -54.15 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 48.0 mttt -35.87 -39.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.99 -58.72 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.991 HG11 ' CD1' ' A' ' 112' ' ' PHE . 91.3 t -39.95 -54.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.544 ' HE1' ' CD2' ' A' ' 112' ' ' PHE . 36.5 mmt -56.37 -38.49 71.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.462 HD12 ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -60.24 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 61' ' ' ASP . 7.3 tt -47.08 -22.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.5 m -93.3 -30.72 15.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -68.68 -55.57 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.462 ' ND2' HD12 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -52.21 -26.0 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.555 ' NE2' HD11 ' A' ' 106' ' ' ILE . 2.3 mm100 -77.46 -8.25 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 m -82.71 -59.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.2 t80 -71.01 -49.41 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.586 ' OD1' HD12 ' A' ' 101' ' ' ILE . 49.5 m-80 -79.58 164.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.36 170.98 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' SER . 19.1 mt-10 -60.96 168.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.36 26.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 47.1 t -94.28 143.01 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.7 tp-100 -35.22 -57.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.586 HD12 ' OD1' ' A' ' 95' ' ' ASN . 54.7 mt -65.21 -45.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 21.9 t80 -47.14 -57.84 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.77 -36.79 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -58.75 -34.14 71.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p -68.09 -52.67 32.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.555 HD11 ' NE2' ' A' ' 92' ' ' GLN . 4.6 mm -38.22 -48.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 28' ' ' TYR . 80.9 t -61.23 -58.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 40' ' ' PHE . 79.3 mt -36.39 -54.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -56.75 -56.79 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -49.11 -35.78 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.694 HG21 ' CD2' ' A' ' 28' ' ' TYR . 87.8 t -77.71 -24.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.991 ' CD1' HG11 ' A' ' 84' ' ' VAL . 62.9 t80 -76.29 -50.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -56.93 -57.02 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.5 t -59.32 -37.54 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 111' ' ' VAL . . . -53.47 -29.22 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.425 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 65.9 mtm180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.74 26.53 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.15 32.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -84.56 -39.09 19.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -85.58 -52.66 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 m -49.63 -51.52 37.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -57.24 -49.09 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.2 tt0 -40.54 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.433 ' HE1' ' HB2' ' A' ' 74' ' ' TYR . 16.3 mtt -35.12 -71.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -43.7 -56.13 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . -38.79 -47.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 77' ' ' LEU . 34.0 mt -60.1 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 26' ' ' ILE . 28.2 mm -58.82 -56.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' ILE . 35.9 t70 -34.39 -62.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.3 m -51.79 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ILE . 69.7 t -70.82 -73.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 ' CG2' ' A' ' 22' ' ' ILE . 76.4 mt -42.11 -34.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.0 m-80 -75.62 -43.83 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 13.7 t80 -37.13 151.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 38' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.766 0.317 . . . . 0.0 110.888 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' PHE . 86.5 p -40.0 -28.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 19.5 mt-10 -40.29 -69.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -58.86 -13.4 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 108' ' ' LEU . 61.2 m-85 -108.41 16.97 22.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 42' ' ' GLN . 10.5 mm -80.41 -74.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.514 ' N ' HG22 ' A' ' 41' ' ' ILE . 19.7 tp60 -130.29 114.59 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.1 mt -64.24 160.3 50.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.814 ' CG ' HD23 ' A' ' 49' ' ' LEU . 53.9 Cg_endo -69.79 145.72 57.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -56.01 167.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -79.74 -43.41 22.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -26.14 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.62 -52.41 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' CG ' ' A' ' 44' ' ' PRO . 18.7 tp -121.57 69.86 24.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 55' ' ' LEU . 7.7 pt-20 -38.11 -44.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.582 ' CE1' HG13 ' A' ' 56' ' ' ILE . 42.5 t80 -52.64 -44.89 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' PRO . 64.2 m-85 -73.23 -9.05 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 5.3 mm-40 -82.46 -47.34 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -82.29 -34.14 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 52' ' ' TYR . 41.9 mm -74.76 137.66 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -84.29 -60.32 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.735 ' HB2' HD21 ' A' ' 86' ' ' LEU . 51.6 mttt -125.52 85.54 58.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.544 HG11 ' OD1' ' A' ' 83' ' ' ASP . 5.6 p -122.6 162.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 87' ' ' LEU . 74.2 m-20 -147.86 177.18 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 26' ' ' ILE . 6.7 m-85 -60.1 -56.58 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -49.84 -25.73 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.75 -53.42 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 83.0 mt -51.51 -43.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 69' ' ' ILE . 10.0 mmtp -61.68 -56.08 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 10.6 tp10 -54.07 -24.15 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 9.7 tpt180 -78.9 -31.97 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 66' ' ' LYS . 24.3 mt -77.23 -57.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -57.02 -14.93 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 2.7 m-80 -95.07 11.71 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 49.85 30.8 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -79.14 -17.63 54.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 68' ' ' ARG . 10.2 m-85 -89.64 155.4 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -113.81 -36.9 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -145.49 145.29 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 21' ' ' ILE . 18.7 tp -43.85 -52.51 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.94 -41.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' LEU . 14.6 t0 -54.7 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 53.8 tp -36.21 -49.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.7 tt0 -45.17 -60.08 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' GLU . 38.6 mmtt -35.48 -49.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.544 ' OD1' HG11 ' A' ' 60' ' ' VAL . 14.3 t0 -66.35 -54.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 112' ' ' PHE . 99.2 t -45.07 -47.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.4 mmt -63.36 -36.91 85.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 58' ' ' LYS . 25.7 tp -68.11 -49.54 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 61' ' ' ASP . 3.8 tt -45.77 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.22 -49.44 10.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -52.41 -51.18 60.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -43.82 -44.2 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.17 -59.87 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -45.88 -34.52 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -63.59 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.4 t80 -80.53 -57.06 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.471 ' OD1' HD12 ' A' ' 101' ' ' ILE . 48.4 m-80 -68.18 151.8 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.7 177.64 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 21.8 mt-10 -75.37 159.58 31.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.25 27.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -87.1 168.76 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -48.52 -59.34 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.471 HD12 ' OD1' ' A' ' 95' ' ' ASN . 31.3 mt -67.34 -39.21 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -41.94 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 107' ' ' VAL . 8.0 mm-40 -40.51 -49.87 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -46.89 -45.15 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 p -57.74 -36.61 72.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.19 -29.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 103' ' ' GLU . 58.0 t -73.05 -66.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.644 HD11 ' CE2' ' A' ' 40' ' ' PHE . 35.2 mt -34.39 -49.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -56.25 -50.43 71.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' VAL . 35.0 m -55.99 -26.54 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.3 t -84.97 -41.04 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CD1' HG11 ' A' ' 84' ' ' VAL . 65.4 t80 -51.6 -51.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -54.34 -53.51 52.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -53.76 -44.13 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.86 -44.94 82.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.909 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.59 27.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.228 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -83.38 -33.27 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.0 tm? -83.41 -59.5 2.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -43.06 -51.79 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.3 mmmt -61.08 -52.82 63.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' LYS . 50.7 tt0 -35.29 -53.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.9 mtm -61.55 -46.16 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.86 -55.17 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.45 -40.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 112' ' ' PHE . 17.8 mt -71.61 -72.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.57 ' CG2' HD12 ' A' ' 26' ' ' ILE . 13.1 mm -43.06 -54.25 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.0 t70 -35.31 -62.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -57.31 -54.12 50.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.54 -64.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.57 HD12 ' CG2' ' A' ' 22' ' ' ILE . 91.9 mt -57.95 -42.35 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -97.2 40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 111' ' ' VAL . 25.7 t80 -97.05 136.91 36.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.788 0.328 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 p -56.4 -13.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -49.1 -55.13 13.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -75.02 5.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -126.34 19.47 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 7.2 mm -87.32 -74.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -97.72 148.87 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -102.13 156.34 35.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.53 42.84 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 t -61.72 140.91 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' PRO . 62.1 mtm180 -56.05 -46.67 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -51.27 -54.27 27.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.28 -59.71 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 52' ' ' TYR . 26.5 tp -117.81 70.88 7.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.75 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HA ' ' CD ' ' A' ' 54' ' ' GLU . 2.3 pt-20 -39.95 -44.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 10.7 t80 -45.8 -42.32 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.975 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -73.29 -24.68 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' CD ' ' HA ' ' A' ' 51' ' ' GLU . 92.3 mt-10 -64.88 -61.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -62.41 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.9 mm -78.49 143.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -111.27 -31.97 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.991 ' HB2' HD21 ' A' ' 86' ' ' LEU . 18.3 mmmt -121.01 67.94 16.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.383 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.498 HG22 ' N ' ' A' ' 61' ' ' ASP . 14.9 p -99.83 158.78 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -136.71 163.93 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.17 -27.64 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CD ' ' O ' ' A' ' 41' ' ' ILE . 13.9 mtpt -66.86 -46.13 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -62.12 -53.79 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.3 mt -45.18 -57.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 69' ' ' ILE . 4.5 mtpm? -53.27 -45.37 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.01 -46.66 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.546 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 17.3 mmt180 -53.16 -22.69 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 66' ' ' LYS . 58.4 mt -81.12 -65.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.26 -22.53 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 33.2 m-20 -92.54 16.75 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 11.3 m-70 35.97 31.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -72.54 -56.02 6.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 10.8 m-85 -45.62 159.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 1.3 mpp_? -105.07 -29.96 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -165.03 163.19 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 21' ' ' ILE . 22.8 tp -45.28 -42.88 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.12 -57.7 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.6 m-20 -41.47 -62.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.2 tp -35.73 -57.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.3 tt0 -45.04 -66.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' GLU . 20.3 mtpp -35.94 -48.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.89 -53.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.87 -63.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mmt -48.28 -36.26 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.991 HD21 ' HB2' ' A' ' 58' ' ' LYS . 16.1 tp -67.21 -52.19 44.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 87' ' ' LEU . 4.6 tt -50.06 -27.41 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.88 -24.76 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -74.04 -51.51 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -16.94 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.89 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 m -63.23 -36.53 83.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.453 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.7 t80 -94.17 -55.21 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 101' ' ' ILE . 9.4 m-80 -66.48 153.44 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.23 166.59 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.547 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 35.5 mt-10 -72.57 159.52 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.08 27.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.8 t -88.16 169.92 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -51.25 -54.31 27.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.584 HD12 ' OD1' ' A' ' 95' ' ' ASN . 97.1 mt -71.35 -33.43 50.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 49.6 t80 -45.59 -68.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.88 -42.79 69.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -47.45 -37.74 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.4 p -72.66 -45.45 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.36 -30.85 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' LEU . 21.7 t -67.14 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' VAL . 33.0 mt -34.44 -39.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.44 -58.01 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.6 -26.94 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.45 HG21 ' CD2' ' A' ' 28' ' ' TYR . 14.1 t -79.78 -38.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 21' ' ' ILE . 48.5 t80 -64.44 -58.35 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -46.0 -47.49 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -71.56 -38.88 70.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.62 -30.72 5.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.39 38.47 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -19.59 36.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.3 -52.16 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.63 -49.08 57.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 92.7 m -54.62 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -37.64 -62.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.758 ' NE2' HD12 ' A' ' 77' ' ' LEU . 5.7 tt0 -34.25 -61.27 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt -41.7 -71.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.589 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -47.63 -41.65 22.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . -51.46 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 77' ' ' LEU . 43.6 mt -77.72 -62.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 84' ' ' VAL . 13.1 mm -50.9 -57.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.82 -28.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -84.3 -29.97 25.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ILE . 89.6 t -79.9 -50.64 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.526 HG23 ' OG ' ' A' ' 37' ' ' SER . 98.9 mt -61.97 -40.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -66.93 -37.19 83.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -42.91 151.89 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 pttt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.89 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.838 HD23 ' CG ' ' A' ' 104' ' ' ASP . 6.0 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.836 0.351 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.526 ' OG ' HG23 ' A' ' 26' ' ' ILE . 43.5 p -40.61 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 43.6 mt-10 -43.83 -63.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.669 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -66.2 -6.07 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.669 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 60.0 m-85 -114.17 21.17 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 mm -87.56 -69.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 14.0 tm0? -102.1 150.38 23.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 25.6 mt -104.67 158.23 32.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.8 Cg_endo -69.75 111.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' PRO . 59.1 m -36.49 126.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -43.75 -45.8 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -52.44 -52.69 52.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.98 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 18.9 tp -119.97 83.37 30.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.18 11.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.502 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 11.3 pt-20 -54.78 -35.62 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -52.78 -35.41 56.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -87.43 -14.8 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.41 -55.24 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -74.77 -41.36 60.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 59' ' ' PRO . 49.3 mm -72.88 125.1 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.29 -58.93 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -134.09 84.24 43.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HB3' HG21 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.77 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.4 p -93.9 158.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.625 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.4 p-10 -136.66 171.34 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.25 -37.61 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -64.27 -21.74 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.46 -52.11 5.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.0 -52.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HE3' ' CD1' ' A' ' 26' ' ' ILE . 5.6 mtmp? -62.61 -28.82 70.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.14 -21.12 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -86.6 -45.04 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.9 mt -51.05 -46.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -71.92 -22.2 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -94.0 15.64 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER 39.57 38.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -56.2 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 9.4 m-85 -46.11 171.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.57 -15.91 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -173.76 168.2 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.758 HD12 ' NE2' ' A' ' 17' ' ' GLN . 1.3 tt -53.5 -44.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.06 -55.97 4.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.513 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.2 m-20 -48.46 -41.91 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 84' ' ' VAL . 53.4 tp -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 82' ' ' LYS . 8.4 tm-20 -67.76 -60.93 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.0 mtpt -39.12 -45.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.09 -63.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 80' ' ' LEU . 94.3 t -40.11 -57.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.47 ' HE2' HG12 ' A' ' 84' ' ' VAL . 35.6 mmt -53.08 -42.98 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' HIS . 8.6 tp -59.62 -59.04 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 61' ' ' ASP . 2.8 tt -43.23 -25.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.56 -29.28 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' LEU . 6.8 t60 -75.4 -51.95 11.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -15.46 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.7 -52.83 11.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 47.9 mt-30 -61.72 -33.21 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 m -57.71 -44.92 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.0 t80 -89.72 -59.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -60.29 145.02 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.03 176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.584 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . 17.0 mt-10 -98.91 166.26 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.6 31.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 p -100.03 -174.81 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -62.2 -61.83 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 104' ' ' ASP . 46.0 mt -59.69 -58.33 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 7.1 t80 -34.31 -52.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -58.16 -44.03 87.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.838 ' CG ' HD23 ' A' ' 36' ' ' LEU . 10.3 t0 -52.54 -47.59 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -51.22 -41.95 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' A' ' 102' ' ' TYR . 2.7 mp -65.42 -48.63 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 108' ' ' LEU . 91.3 t -50.99 -62.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.664 HD21 ' CB ' ' A' ' 36' ' ' LEU . 34.0 mt -36.1 -49.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.27 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 t -45.8 -27.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.22 -44.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CE2' HG21 ' A' ' 21' ' ' ILE . 7.2 t80 -59.43 -58.45 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -46.36 -59.31 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -58.08 -16.66 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 112' ' ' PHE . . . -82.32 -62.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.7 p30 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.4 34.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.64 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -49.98 -32.77 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -79.65 -56.16 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -48.96 -55.64 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -60.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -43.24 -46.54 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.6 mtm -61.3 -46.03 91.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -59.82 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.43 -57.88 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.55 -70.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' VAL . 8.3 mm -46.64 -65.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 22' ' ' ILE . 4.5 t70 -34.6 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' ILE . 52.9 m -78.37 -44.27 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ILE . 99.6 t -61.73 -58.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG12 ' CD1' ' A' ' 62' ' ' PHE . 86.2 mt -55.56 -49.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' TYR . 93.5 m-20 -59.95 -45.68 91.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' ASN . 31.9 t80 -37.12 141.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 7.7 ptpp? . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.537 HD23 ' CG ' ' A' ' 104' ' ' ASP . 5.5 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.838 0.352 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.7 p -42.35 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . 31.4 mt-10 -42.99 -61.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.65 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.6 m -65.49 -12.26 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -105.4 20.38 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 63' ' ' LYS . 17.2 mm -91.18 -74.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.5 128.79 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.37 155.98 41.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' PRO . 6.7 t -34.76 145.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' SER . 18.4 mmm-85 -37.08 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -66.16 -47.86 72.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' SER . 6.8 mm-40 -56.72 -50.09 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 3.4 tp -164.58 105.01 0.84 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.628 0.727 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 -31.46 20.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 1.1 tt0 -36.81 -63.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' GLU . 27.5 t80 -36.19 -55.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.38 -35.35 80.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.1 mt-10 -55.33 -54.45 43.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.818 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -80.03 -49.39 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.7 140.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -90.84 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.14 80.32 11.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.13 9.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.6 p -129.3 159.61 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.695 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.7 p30 -141.82 169.24 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.444 ' CD1' HG12 ' A' ' 26' ' ' ILE . 17.6 m-85 -56.79 -34.45 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 41' ' ' ILE . 19.1 mmmt -60.15 -45.51 92.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -50.88 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.2 mt -46.1 -58.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.3 mtpt -58.61 -48.89 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 17.8 tt0 -42.61 -34.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -72.5 -48.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.66 -31.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 9.0 ptp180 -88.03 -39.16 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -80.04 11.83 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 49.15 47.0 22.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -92.09 -46.25 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.41 123.81 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.35 -37.79 56.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 5.3 t -164.04 -175.05 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.79 -45.67 85.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.13 -59.78 1.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -54.79 -56.51 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 84' ' ' VAL . 50.4 tp -38.52 -48.17 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.3 -52.19 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -42.82 -41.78 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.08 -60.52 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.567 HG11 ' CD2' ' A' ' 112' ' ' PHE . 91.4 t -41.01 -45.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.454 ' HE2' HG12 ' A' ' 84' ' ' VAL . 34.1 mmt -70.28 -45.91 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -53.7 -36.86 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 61' ' ' ASP . 5.3 tt -65.58 -42.85 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 86.2 m -70.67 -51.31 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -50.64 -54.17 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -53.05 -37.2 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -52.56 -54.73 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 63.9 mt-30 -61.52 -39.09 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -51.61 -41.56 61.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.818 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.3 t80 -94.06 -59.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.404 ' OD1' HD12 ' A' ' 101' ' ' ILE . 59.8 m-80 -59.06 120.66 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.07 160.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 8.7 mp0 -75.95 160.14 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.17 26.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -87.98 -176.26 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.24 -55.72 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.4 mt -69.38 -39.9 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 58.5 t80 -37.94 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 106' ' ' ILE . 48.8 mt-10 -42.55 -58.8 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.537 ' CG ' HD23 ' A' ' 36' ' ' LEU . 4.1 t0 -39.62 -43.15 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 p -61.77 -42.95 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' GLU . 3.0 mp -66.47 -43.38 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' LEU . 19.5 t -56.54 -59.84 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 107' ' ' VAL . 46.2 mt -34.24 -54.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -60.63 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.0 t -43.37 -37.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.12 -40.9 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CD2' HG11 ' A' ' 84' ' ' VAL . 1.6 t80 -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -61.1 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -62.79 -44.21 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.46 -43.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.853 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.52 24.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -12.87 33.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -87.65 -35.54 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.8 tm? -81.7 -54.07 5.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 m -43.55 -53.64 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 35.2 tttm -57.35 -52.85 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' LYS . 49.3 tt0 -35.08 -57.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 mtm -56.74 -46.38 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.13 -49.24 76.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -41.76 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.688 ' CD1' HD11 ' A' ' 77' ' ' LEU . 28.1 mt -68.79 -67.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.645 ' CG2' HD12 ' A' ' 26' ' ' ILE . 10.8 mm -50.53 -59.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.0 t70 -35.78 -54.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.6 m -58.3 -62.04 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.6 t -48.54 -69.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' CG2' ' A' ' 22' ' ' ILE . 39.3 mt -44.08 -47.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.483 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -58.79 -40.75 84.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASN . 44.1 t80 -34.33 135.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mttt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.797 0.332 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 p -56.14 -20.2 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -46.61 -59.97 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.595 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.2 m -57.38 -12.75 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 50.8 m-85 -105.86 -15.18 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -53.12 -62.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.433 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -129.66 148.21 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -130.62 164.08 44.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.69 119.82 6.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.1 m -57.89 177.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HG2' ' CD2' ' A' ' 53' ' ' TYR . 42.7 mtt-85 -52.91 -42.51 65.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.08 -56.34 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -58.46 -61.41 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 7.2 tp -125.44 94.28 43.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 53.4 Cg_endo -69.82 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 5.0 pt-20 -42.27 -42.33 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -53.85 -40.77 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 27.5 m-85 -81.47 -2.2 48.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.86 -52.04 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.624 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -80.57 -35.98 33.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.7 mm -79.17 139.38 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -44.61 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.776 ' HB2' HD21 ' A' ' 86' ' ' LEU . 84.5 mttt -133.06 83.41 51.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.64 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.56 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.1 p -99.09 165.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' HG22 ' A' ' 60' ' ' VAL . 55.1 p-10 -146.56 155.57 42.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CD1' HD11 ' A' ' 26' ' ' ILE . 11.0 m-85 -48.83 -38.92 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 13.6 mtpp -54.59 -45.11 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -73.15 -46.58 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -49.96 -40.17 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -79.23 -38.75 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.9 tm-20 -49.65 -68.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.469 ' HG3' ' CE2' ' A' ' 74' ' ' TYR . 6.1 ptm180 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt -44.98 -46.52 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.96 -21.38 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' HIS . 9.1 m-80 -101.64 21.91 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 71' ' ' ASN . 3.4 m-70 35.21 42.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -82.6 -48.92 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 3.0 m-85 -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -112.73 -32.36 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 t -166.32 168.99 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.688 HD11 ' CD1' ' A' ' 21' ' ' ILE . 63.8 tp -57.11 -57.92 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . . . -38.09 -30.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' LEU . 59.8 m-20 -70.09 -46.38 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.4 tp -50.79 -32.4 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' LYS . 36.3 tt0 -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.6 mtmt -36.03 -63.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.1 p-10 -55.57 -60.92 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 80' ' ' LEU . 74.5 t -38.95 -51.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mmt -63.59 -36.16 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 58' ' ' LYS . 14.3 tp -67.99 -59.99 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.4 tt -37.33 -44.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . 0.473 ' N ' HD23 ' A' ' 87' ' ' LEU . 60.0 m -71.87 -43.9 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' GLN . 6.4 t-80 -58.2 -56.21 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' HIS . 91.1 m-20 -37.2 -41.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.46 -47.36 82.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' HIS . 76.8 mt-30 -57.98 -13.93 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.4 m -96.86 -33.93 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.3 t80 -93.16 -57.12 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.446 ' OD1' HG21 ' A' ' 101' ' ' ILE . 13.3 m-80 -64.06 135.96 56.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.831 HD13 ' N ' ' A' ' 97' ' ' GLU . 0.5 OUTLIER -58.17 150.61 21.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.831 ' N ' HD13 ' A' ' 96' ' ' LEU . 18.8 mt-10 -66.96 175.69 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.77 28.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.0 t -100.36 175.57 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -66.09 -49.76 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 104' ' ' ASP . 38.0 mt -67.76 -62.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.502 ' O ' HD12 ' A' ' 106' ' ' ILE . 3.3 t80 -39.22 -44.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.469 ' HA ' HD13 ' A' ' 106' ' ' ILE . 16.5 mt-10 -68.56 -37.13 79.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.542 ' OD1' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -56.85 -40.33 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.7 p -59.07 -37.97 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.2 mp -61.93 -24.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' LEU . 94.4 t -83.51 -61.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.6 mt -35.44 -43.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.78 -52.55 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -30.58 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -80.54 -32.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.659 ' CD1' HG11 ' A' ' 84' ' ' VAL . 40.7 t80 -68.47 -58.9 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -48.16 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -68.2 -38.65 82.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.59 -45.28 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.928 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 165.9 29.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -46.12 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -56.73 -21.38 27.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.14 -55.11 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.9 m -52.04 -49.88 62.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -50.11 -60.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' HD23 ' A' ' 77' ' ' LEU . 28.1 tt0 -40.63 -46.62 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 mtt -61.04 -49.03 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 25.9 m-20 -62.81 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.33 -53.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -56.66 -64.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.597 ' CG2' HD12 ' A' ' 26' ' ' ILE . 19.2 mm -52.09 -67.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -36.46 -32.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ILE . 94.1 m -81.4 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.17 -47.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 ' CG2' ' A' ' 22' ' ' ILE . 74.4 mt -66.74 -46.13 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 1.3 t80 -103.39 133.48 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.805 0.335 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -92.4 -31.4 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 23.9 mt-10 -42.89 -51.63 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 40' ' ' PHE . 3.4 m -54.88 -30.58 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.602 ' HE2' ' HB2' ' A' ' 91' ' ' ALA . 80.9 m-85 -91.48 -22.72 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 62' ' ' PHE . 26.7 mm -49.59 -49.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -127.5 109.29 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -102.17 164.43 15.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.77 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 m -62.45 -177.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -61.34 -47.04 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.42 -54.84 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.18 -54.14 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 23.5 tp -132.84 85.88 45.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -33.0 17.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.0 pt-20 -62.81 -28.82 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.578 ' CE1' HG13 ' A' ' 56' ' ' ILE . 87.3 t80 -61.82 -33.05 73.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 9.0 m-85 -83.42 -14.41 52.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 69.8 mm-40 -72.6 -45.79 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -88.1 -42.39 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' OD1' ' A' ' 90' ' ' ASN . 48.9 mm -69.9 112.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -49.66 -67.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -131.09 93.49 30.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.4 Cg_endo -69.83 110.07 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.6 p -118.84 162.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' HG22 ' A' ' 60' ' ' VAL . 4.8 p-10 -129.53 -177.49 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.653 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.0 m-85 -81.6 -27.21 34.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -70.61 -26.1 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -83.92 -51.64 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 62' ' ' PHE . 28.1 mt -43.07 -36.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.17 -35.68 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.24 -33.53 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -78.26 -36.21 47.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.67 -46.99 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -76.0 -24.04 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -93.92 18.04 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 41.36 34.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -77.38 -44.11 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.38 146.66 39.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -102.26 -23.65 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 p -167.2 175.01 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 77' ' ' LEU . 1.6 tm? -66.73 -42.47 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.82 4.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LEU . 8.1 t0 -61.69 -61.46 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 33.3 tp -36.28 -33.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 79' ' ' ASP . 15.9 tt0 -65.51 -57.77 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -40.72 -52.44 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.16 -70.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 112' ' ' PHE . 80.1 t -38.29 -57.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.5 mmt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' LEU . 12.7 tp -61.63 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 61' ' ' ASP . 5.4 tt -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.51 -41.92 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -55.33 -34.54 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.61 ' OD1' HG23 ' A' ' 56' ' ' ILE . 74.0 m-20 -64.29 -43.21 95.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.602 ' HB2' ' HE2' ' A' ' 40' ' ' PHE . . . -53.66 -57.68 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -50.27 -22.07 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.5 m -81.05 -56.44 4.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.681 ' CD2' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -74.85 -54.4 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASN . . . . . 0.543 ' OD1' HD12 ' A' ' 101' ' ' ILE . 27.8 m-80 -65.05 157.68 27.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -84.18 165.14 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' SER . 17.4 mt-10 -65.77 161.84 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.55 31.66 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 42.0 t -93.6 159.4 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.336 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -41.5 -59.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.543 HD12 ' OD1' ' A' ' 95' ' ' ASN . 81.1 mt -66.61 -27.91 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE2' HD11 ' A' ' 106' ' ' ILE . 21.6 t80 -61.0 -67.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.707 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.4 mt-10 -42.65 -34.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -66.19 -45.0 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -56.19 -41.33 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.51 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -69.45 -33.67 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 103' ' ' GLU . 91.3 t -71.27 -62.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' VAL . 11.2 mt -36.72 -51.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.07 -53.86 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.1 t -52.42 -32.27 38.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' A' ' 28' ' ' TYR . 12.4 t -75.48 -32.35 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.589 ' CD1' HG11 ' A' ' 84' ' ' VAL . 60.5 t80 -65.24 -49.3 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -67.1 -45.32 77.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.0 t -58.89 -31.89 69.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.93 -39.07 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -139.82 139.12 36.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -146.58 161.46 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.48 72.44 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -50.27 156.92 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 110.839 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 p -94.33 52.77 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.1 -86.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.446 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.8 m -89.01 144.14 32.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.668 0.746 . . . . 0.0 110.868 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 133.45 25.67 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.356 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -40.51 144.69 0.57 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.626 0.727 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 167.51 24.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -21.96 32.77 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.655 2.237 . . . . 0.0 112.368 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -75.7 -35.37 60.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.696 HD21 ' HE2' ' A' ' 18' ' ' MET . 8.0 tt -81.96 -59.16 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 14' ' ' LEU . 39.4 m -46.75 -49.75 19.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -53.82 -50.01 67.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -48.09 -52.46 20.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.696 ' HE2' HD21 ' A' ' 14' ' ' LEU . 6.7 mtt -54.96 -52.99 61.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.2 m-80 -54.01 -57.34 11.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -40.01 -61.75 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.738 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 71.9 mt -47.49 -73.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 25' ' ' VAL . 17.2 mm -48.35 -65.09 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 37.7 t70 -35.59 -35.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ILE . 71.0 m -82.57 -42.56 18.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.478 ' N ' ' O ' ' A' ' 22' ' ' ILE . 50.4 t -63.43 -50.23 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 22' ' ' ILE . 89.9 mt -65.9 -32.77 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 97.6 m-20 -83.07 -23.25 33.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.854 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.4 t80 -54.4 134.91 45.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.0 152.45 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.36 -54.87 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.5 t -72.08 -175.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -80.79 49.43 1.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.811 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.03 -33.6 3.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.8 ttt85 -71.29 101.02 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.731 0.301 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.55 166.25 17.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.492 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -105.09 -43.54 5.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.979 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 64.8 p -49.52 -19.18 0.52 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.863 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -52.03 -50.87 60.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG21 HD12 ' A' ' 101' ' ' ILE . 2.5 m -75.69 3.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.108 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 108' ' ' LEU . 97.0 m-85 -120.57 14.25 11.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.604 HG22 ' HG3' ' A' ' 42' ' ' GLN . 34.6 mm -82.83 -69.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.604 ' HG3' HG22 ' A' ' 41' ' ' ILE . 9.8 mt-30 -107.67 153.75 22.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.474 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 14.2 mt -113.47 159.05 36.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.616 0.722 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.474 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.77 144.25 53.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -62.41 172.86 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -79.92 -26.73 40.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 55.0 tttt -77.05 -54.95 5.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.62 -61.95 1.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 56.9 tp -124.51 81.73 59.49 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.604 0.716 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -47.84 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 3.2 pt-20 -40.67 -40.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.452 ' CE1' HG13 ' A' ' 56' ' ' ILE . 64.0 t80 -48.46 -44.14 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.43 ' CD1' ' HG3' ' A' ' 46' ' ' ARG . 95.2 m-85 -77.54 -15.71 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.957 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 53.0 mm-40 -74.04 -49.11 25.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.509 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -82.04 -48.21 11.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.452 HG13 ' CE1' ' A' ' 52' ' ' TYR . 6.0 mm -65.55 132.94 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -76.64 -62.27 1.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -127.22 82.58 67.91 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 81.85 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.361 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.3 p -92.69 162.76 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.154 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' HG22 ' A' ' 60' ' ' VAL . 1.8 p-10 -123.47 -175.22 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' HA ' HD12 ' A' ' 65' ' ' ILE . 3.5 m-85 -84.1 -39.3 19.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.4 ' NZ ' ' HG2' ' A' ' 42' ' ' GLN . 19.5 mtmt -57.63 -31.82 66.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt -77.39 -46.69 21.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.532 HD12 ' HA ' ' A' ' 62' ' ' PHE . 38.5 mt -53.8 -40.35 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.14 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -74.4 -40.88 61.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -57.23 -28.48 62.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.0 mmt-85 -72.12 -45.76 59.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 65.1 mt -55.52 -39.45 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.148 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -80.9 -12.02 59.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -101.26 12.8 36.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 50.58 30.48 4.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' NZ ' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -74.83 -66.37 0.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -50.2 128.74 19.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -84.3 -43.19 15.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.4 t -138.61 167.11 22.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.3 tp -52.88 -47.83 67.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.59 -52.71 3.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.496 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.18 -45.82 11.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 84' ' ' VAL . 29.7 tp -57.0 -41.51 78.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -61.85 -42.18 98.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.15 -44.84 61.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.3 m-20 -77.78 -62.05 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.585 HG12 ' HE2' ' A' ' 85' ' ' MET . 93.0 t -36.82 -54.89 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.585 ' HE2' HG12 ' A' ' 84' ' ' VAL . 39.0 mmt -62.33 -33.91 75.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 83' ' ' ASP . 1.0 OUTLIER -67.04 -53.26 32.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.92 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.573 HD23 ' C ' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -50.58 -30.87 14.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.942 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 2.2 m -79.66 -55.56 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -48.14 -50.07 30.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -41.61 -40.5 1.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 94' ' ' PHE . . . -66.04 -64.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -42.94 -24.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' C ' ' A' ' 91' ' ' ALA . 62.5 m -81.79 -39.87 23.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.509 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.5 t80 -86.33 -57.16 3.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.869 ' ND2' HG21 ' A' ' 101' ' ' ILE . 38.9 m-80 -69.5 132.35 46.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -55.17 162.64 1.33 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 26.7 mt-10 -70.1 169.3 13.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.12 32.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.507 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -97.44 -177.0 3.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -50.35 61.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.869 HG21 ' ND2' ' A' ' 95' ' ' ASN . 11.5 mm -74.19 -27.85 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.629 ' CE2' HD11 ' A' ' 106' ' ' ILE . 54.2 t80 -58.29 -72.19 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.567 ' HA ' HD13 ' A' ' 106' ' ' ILE . 44.1 mt-10 -36.22 -51.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.434 ' CG ' HD23 ' A' ' 36' ' ' LEU . 6.2 m-20 -45.31 -57.38 4.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.9 p -44.09 -50.28 8.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.69 ' H ' HD12 ' A' ' 106' ' ' ILE . 5.3 mp -58.47 -40.84 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.46 -60.71 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.151 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 40' ' ' PHE . 29.5 mt -40.13 -38.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -64.64 -52.05 59.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.933 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -54.16 -34.32 60.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.445 HG21 ' CG ' ' A' ' 28' ' ' TYR . 12.4 t -73.44 -38.24 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.631 ' CE1' HG21 ' A' ' 21' ' ' ILE . 87.5 t80 -57.08 -58.34 8.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -56.73 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.6 t -49.3 -50.61 38.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.738 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -45.19 -54.78 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.104 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 115' ' ' ALA . 4.9 mtp-105 -37.3 -43.47 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -91.13 -71.98 0.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.8 t -62.8 98.78 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -148.22 -158.22 7.87 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.521 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -18.92 36.54 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.682 2.255 . . . . 0.0 112.336 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.8 m -52.43 102.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.2 t -123.75 100.28 6.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -127.85 -54.43 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.889 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.6 p -174.13 154.41 2.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.837 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.04 154.31 9.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.488 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -131.47 106.87 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 0.0 110.905 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.9 p -172.24 141.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.15 161.14 14.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.2 p -71.65 152.06 93.59 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.666 0.746 . . . . 0.0 110.877 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 126.91 13.82 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.64 2.226 . . . . 0.0 112.353 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -42.11 151.08 0.36 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.73 . . . . 0.0 110.929 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 168.68 20.82 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.69 2.26 . . . . 0.0 112.347 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 -17.6 37.89 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.742 2.295 . . . . 0.0 112.338 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.0 ttmt -86.4 -33.68 20.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.483 HD13 ' SD ' ' A' ' 18' ' ' MET . 2.6 tm? -85.37 -56.17 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 91.2 m -48.18 -53.68 16.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLN . 39.8 mmtt -52.79 -46.42 67.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' LYS . 21.7 tt0 -37.68 -61.0 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.538 ' HG3' HD12 ' A' ' 77' ' ' LEU . 0.2 OUTLIER -48.02 -52.25 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -56.83 -58.06 9.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.22 -45.14 2.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.659 HD12 HD11 ' A' ' 77' ' ' LEU . 77.4 mt -66.91 -72.27 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.618 ' CG2' HD12 ' A' ' 26' ' ' ILE . 13.1 mm -44.18 -58.52 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.073 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 22' ' ' ILE . 5.1 m-20 -34.65 -55.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.2 m -63.42 -55.36 24.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 89.8 t -47.54 -59.66 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.618 HD12 ' CG2' ' A' ' 22' ' ' ILE . 97.0 mt -61.31 -41.96 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.1 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.5 m-20 -96.9 41.99 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -103.71 143.76 32.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.6 pttt -104.17 136.25 44.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -106.98 -36.25 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.9 t -111.26 -73.27 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.6 m -119.81 -47.72 2.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -165.69 -40.61 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.7 tpp180 -41.4 134.72 2.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.793 0.33 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -92.78 127.43 38.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.66 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -64.5 -21.99 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 p -61.32 -9.17 4.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -51.43 -44.06 62.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.616 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.7 m -83.37 -0.68 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.616 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -113.67 3.41 15.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.925 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.608 HG22 ' HG3' ' A' ' 42' ' ' GLN . 4.9 mm -74.7 -74.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.608 ' HG3' HG22 ' A' ' 41' ' ' ILE . 15.8 mt-30 -99.42 131.96 45.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.6 mt -91.3 157.46 42.51 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.613 0.721 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.78 126.97 13.91 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.693 2.262 . . . . 0.0 112.336 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.3 t -58.79 159.3 6.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -66.27 -48.04 71.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.0 tmtm? -56.1 -42.0 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -71.01 -56.75 5.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.1 tp -133.33 80.88 57.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.585 0.707 . . . . 0.0 110.976 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -33.92 15.58 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.304 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 4.9 pt-20 -50.02 -36.41 28.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.584 ' CE1' HG13 ' A' ' 56' ' ' ILE . 76.2 t80 -59.49 -37.33 77.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -74.41 -16.63 60.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -74.55 -54.09 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.724 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -73.85 -47.13 40.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.584 HG13 ' CE1' ' A' ' 52' ' ' TYR . 4.5 mm -67.71 155.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' N ' HG22 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -113.17 -45.36 3.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.743 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.8 mtmm -127.19 81.72 69.46 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.568 0.699 . . . . 0.0 110.899 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 83.08 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.478 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.1 p -101.12 159.74 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.478 ' N ' HG22 ' A' ' 60' ' ' VAL . 2.9 m-20 -125.99 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -81.5 -18.07 46.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.9 mtmm -82.43 -31.76 29.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -70.9 -48.54 53.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.2 mt -46.02 -47.39 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.613 ' HA ' HD12 ' A' ' 69' ' ' ILE . 50.6 mtmt -68.32 -46.34 70.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 45.4 tt0 -39.5 -26.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 66' ' ' LYS . 1.3 mpt_? -86.95 -45.75 10.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' A' ' 66' ' ' LYS . 66.6 mt -49.84 -51.1 17.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -71.31 -19.66 62.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 84.8 m-20 -99.12 7.27 46.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 45.44 50.47 10.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -93.69 -27.08 16.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -77.43 131.28 37.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -77.5 -38.23 49.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.9 m -153.42 164.62 37.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.659 HD11 HD12 ' A' ' 21' ' ' ILE . 13.5 tp -56.55 -42.33 78.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.86 -25.78 1.01 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.483 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.97 -53.51 7.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 84' ' ' VAL . 26.1 tp -39.73 -44.11 1.5 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.9 tt0 -54.94 -60.91 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 81' ' ' GLU . 31.9 mttm -35.93 -40.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.46 -59.72 2.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 80' ' ' LEU . 15.0 t -44.33 -57.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.7 mmt -54.22 -37.79 64.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.743 HD21 ' HB2' ' A' ' 58' ' ' LYS . 18.0 tp -63.37 -51.82 64.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.491 HD23 ' C ' ' A' ' 87' ' ' LEU . 2.8 tt -51.6 -30.58 21.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.1 m -87.19 -38.6 16.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -62.93 -42.82 99.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -51.16 -38.45 52.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -59.49 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.078 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -47.99 -26.35 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 52.1 m -75.85 -37.58 58.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.724 ' CD2' HD11 ' A' ' 55' ' ' LEU . 3.3 t80 -91.06 -57.82 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.451 ' OD1' HD12 ' A' ' 101' ' ' ILE . 14.9 m-80 -62.21 143.13 57.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 96' ' ' LEU . 3.9 mm? -64.77 166.29 9.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 99' ' ' SER . 25.3 mt-10 -71.58 162.89 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.26 33.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -95.42 168.18 10.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.841 0.353 . . . . 0.0 110.873 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -46.66 -61.89 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.451 HD12 ' OD1' ' A' ' 95' ' ' ASN . 43.4 mt -64.88 -42.79 95.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.729 ' O ' HD12 ' A' ' 106' ' ' ILE . 18.6 t80 -42.73 -66.64 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' O ' HG23 ' A' ' 107' ' ' VAL . 23.4 mt-10 -40.1 -45.09 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.457 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -55.92 -57.57 11.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 60.6 p -43.26 -42.62 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 102' ' ' TYR . 5.2 mp -68.32 -44.78 83.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.099 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.8 t -57.7 -60.81 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.1 mt -35.61 -49.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -50.35 -62.59 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.403 ' HA ' ' CE ' ' A' ' 113' ' ' LYS . 39.9 t -46.1 -32.55 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.44 -42.33 80.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.145 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.617 ' CE1' HG21 ' A' ' 21' ' ' ILE . 60.7 t80 -52.54 -58.38 6.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.403 ' CE ' ' HA ' ' A' ' 110' ' ' SER . 40.1 mtmt -52.93 -52.77 56.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 t -53.96 -33.03 55.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.569 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -78.96 -15.82 57.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -90.76 -49.12 6.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -65.34 -25.43 67.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -68.06 106.56 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -86.07 -160.64 34.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.45 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' O ' ' N ' ' A' ' 122' ' ' SER . 53.7 Cg_endo -69.74 -50.78 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.32 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.6 m -54.58 88.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 120' ' ' PRO . 30.3 p -119.55 149.44 41.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.505 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -86.84 7.87 25.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.887 0.375 . . . . 0.0 110.839 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 t -119.54 119.91 35.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.66 -106.42 0.61 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -58.9 93.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -120.64 129.79 53.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' C ' ' A' ' 8' ' ' SER . . . 167.96 -69.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.1 t -35.75 143.76 0.26 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.675 0.75 . . . . 0.0 110.884 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 146.83 61.1 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.352 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -71.26 151.78 94.41 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.627 0.727 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 166.26 28.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.722 2.282 . . . . 0.0 112.329 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -27.53 26.65 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -53.54 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.515 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 8.0 tt -66.79 -50.49 62.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.936 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.2 m -52.48 -56.02 17.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -48.51 -48.48 38.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 40.8 tp60 -44.92 -52.73 8.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.515 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 40.1 mtt -49.59 -51.18 39.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -57.96 -52.52 65.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.9 -47.37 4.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.612 ' CD1' HD11 ' A' ' 77' ' ' LEU . 61.2 mt -63.4 -67.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.477 ' CG2' HD12 ' A' ' 26' ' ' ILE . 9.9 mm -48.08 -62.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.403 ' O ' ' CG ' ' A' ' 27' ' ' ASN . 4.5 t70 -37.08 -59.92 0.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 99.8 m -57.53 -34.47 69.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ILE . 47.7 t -70.21 -65.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.477 HD12 ' CG2' ' A' ' 22' ' ' ILE . 97.1 mt -55.58 -43.2 71.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.403 ' CG ' ' O ' ' A' ' 23' ' ' ASP . 2.3 m-20 -63.46 -36.48 83.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -41.62 149.39 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 9.6 pttt -136.52 151.08 49.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.599 ' HB2' HD21 ' A' ' 36' ' ' LEU . 1.7 t70 -94.36 -71.5 0.66 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 m -74.75 -174.95 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 p -75.94 48.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 150.96 -55.08 0.47 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -43.12 161.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -131.58 154.19 49.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD21 ' HB2' ' A' ' 30' ' ' ASP . 2.5 mt -92.05 -58.97 2.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 p -44.56 -22.15 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' LEU . 9.4 mm-40 -47.21 -48.6 23.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.477 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 12.6 m -81.74 -5.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.477 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 58.2 m-85 -115.29 13.18 16.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG22 ' HG3' ' A' ' 42' ' ' GLN . 24.2 mm -65.59 -75.06 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.43 ' HG3' HG22 ' A' ' 41' ' ' ILE . 66.9 mt-30 -106.12 165.57 11.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.5 mt -93.25 155.77 40.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.57 0.7 . . . . 0.0 110.945 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 144.4 54.14 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 48' ' ' GLU . 43.5 m -73.1 122.92 22.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 45' ' ' SER . 20.1 ttp180 -36.31 -55.51 0.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.58 -42.57 71.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' SER . 31.6 mm-40 -67.86 -59.13 3.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.583 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 39.4 tp -129.44 77.04 78.0 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.653 0.739 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -51.35 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.656 2.237 . . . . 0.0 112.368 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.499 ' O ' ' N ' ' A' ' 54' ' ' GLU . 5.9 pt-20 -41.22 -49.36 3.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.571 ' CE1' HG13 ' A' ' 56' ' ' ILE . 25.1 t80 -36.92 -44.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.412 ' CD1' ' HG3' ' A' ' 59' ' ' PRO . 81.0 m-85 -70.12 -38.72 75.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.896 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 51' ' ' GLU . 7.1 mm-40 -48.38 -51.3 27.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -77.27 -48.77 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.571 HG13 ' CE1' ' A' ' 52' ' ' TYR . 31.6 mm -69.59 117.12 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -67.24 -68.98 0.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HG3' HD21 ' A' ' 86' ' ' LEU . 16.3 pttm -117.02 89.13 28.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.572 0.701 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HG3' ' CD1' ' A' ' 53' ' ' TYR . 54.0 Cg_endo -69.77 151.22 68.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.496 HG13 ' HB2' ' A' ' 87' ' ' LEU . 8.4 p -158.06 153.82 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.546 ' O ' HD12 ' A' ' 65' ' ' ILE . 4.6 p-10 -131.4 -175.22 3.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -74.37 -41.65 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -64.79 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -49.38 -50.83 38.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.546 HD12 ' O ' ' A' ' 61' ' ' ASP . 34.9 mt -47.86 -48.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.1 mtpp -65.45 -31.18 72.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -59.44 -53.06 62.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.434 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 38.8 mtp85 -47.19 -43.81 21.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 72.7 mt -57.84 -57.54 10.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.5 mtp85 -64.77 -18.12 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' C ' ' A' ' 72' ' ' HIS . 35.3 m-20 -99.35 18.97 16.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 71' ' ' ASN . 82.6 m-70 36.08 40.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -91.05 -38.25 12.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 6.4 m-85 -57.96 110.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -55.31 -40.25 70.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.6 t -163.88 163.01 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.612 HD11 ' CD1' ' A' ' 21' ' ' ILE . 12.2 tp -49.23 -44.69 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.23 -49.44 6.63 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 80' ' ' LEU . 2.9 m-20 -54.43 -54.28 42.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 79' ' ' ASP . 50.6 tp -35.02 -50.34 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -51.67 -55.93 16.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -42.59 -46.87 5.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.18 -64.2 0.91 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.629 HG11 ' CD2' ' A' ' 112' ' ' PHE . 86.1 t -41.77 -56.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mmt -55.45 -39.73 70.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD21 ' HG3' ' A' ' 58' ' ' LYS . 26.3 tp -63.45 -42.17 98.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.496 ' HB2' HG13 ' A' ' 60' ' ' VAL . 3.0 tt -55.63 -41.75 73.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 45.2 m -68.57 -52.15 34.88 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ASN . 20.9 t60 -45.1 -54.47 6.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' HIS . 87.6 m-20 -37.88 -45.33 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.532 ' HB1' HD21 ' A' ' 95' ' ' ASN . . . -59.85 -65.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.083 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 65.5 mt-30 -43.73 -29.23 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 55.4 m -78.75 -47.83 16.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.583 ' CZ ' HD21 ' A' ' 49' ' ' LEU . 1.7 t80 -70.48 -55.8 8.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.532 HD21 ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -81.32 164.39 22.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 0.1 OUTLIER -88.87 -179.0 5.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 10.7 mt-10 -73.0 164.2 27.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.93 31.38 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.4 t -92.92 167.7 11.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.823 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -49.19 -59.83 3.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -70.63 -37.54 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 22.3 t80 -42.36 -69.74 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.934 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -39.4 -51.68 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -49.09 -54.3 16.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.5 p -51.83 -44.0 63.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.509 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.1 mp -62.73 -48.44 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.439 ' O ' ' C ' ' A' ' 108' ' ' LEU . 79.2 t -57.31 -60.6 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 36' ' ' LEU . 90.9 mt -34.61 -48.17 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -56.36 -60.98 2.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.5 t -45.47 -36.85 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.9 t -68.57 -51.14 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.629 ' CD2' HG11 ' A' ' 84' ' ' VAL . 32.2 t80 -42.93 -62.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -42.88 -62.29 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.7 m -44.02 -42.58 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.53 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -62.74 -58.96 5.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.086 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 42.4 ttt180 -47.8 -52.19 19.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.24 -72.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.4 t -49.37 107.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -166.58 152.41 21.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 121' ' ' SER . 53.6 Cg_endo -69.81 -4.4 13.98 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.346 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 120' ' ' PRO . 62.3 m -35.76 133.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.7 m -72.46 125.87 28.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.491 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -133.42 141.64 47.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -123.92 142.1 51.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.37 -174.26 13.69 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.44 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -54.26 135.81 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.916 0.388 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -75.53 101.83 5.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 76.91 -164.21 52.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.525 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.9 m -97.25 142.84 25.14 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.59 5.77 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -52.06 147.13 13.45 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.637 0.732 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 168.83 20.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.639 2.226 . . . . 0.0 112.371 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -31.4 20.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.672 2.248 . . . . 0.0 112.347 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -64.63 -39.93 94.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 48.0 tp -79.19 -56.89 4.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -47.81 -57.24 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 tptm -49.41 -59.84 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -44.63 -50.7 9.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.6 mtm -54.47 -59.59 4.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -53.26 -57.92 8.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' HB1' ' HD3' ' A' ' 120' ' ' PRO . . . -39.83 -39.77 0.86 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 25' ' ' VAL . 52.7 mt -71.18 -56.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.453 HG21 ' HG2' ' A' ' 66' ' ' LYS . 8.8 mm -63.45 -61.29 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.7 t70 -34.38 -45.66 0.23 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 79.8 m -67.74 -57.31 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 21' ' ' ILE . 97.3 t -46.38 -59.61 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.608 HG23 ' OG ' ' A' ' 37' ' ' SER . 96.4 mt -59.1 -39.58 78.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.083 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 75.1 m-20 -98.75 40.23 1.21 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 3.4 t80 -109.6 140.24 43.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -101.31 144.13 30.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.9 -56.65 3.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -130.8 -68.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 33' ' ' GLY . 3.5 m -109.46 78.87 1.16 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 35.92 40.07 0.33 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.466 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -95.2 126.18 40.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -74.78 143.38 44.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 104' ' ' ASP . 7.1 mt -104.67 -53.11 2.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.608 ' OG ' HG23 ' A' ' 26' ' ' ILE . 53.3 p -47.47 -20.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -43.24 -63.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.526 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -66.36 -8.33 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.108 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.526 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 49.8 m-85 -117.89 21.13 13.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG22 ' HD2' ' A' ' 63' ' ' LYS . 14.7 mm -68.93 -74.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' N ' HG22 ' A' ' 41' ' ' ILE . 8.7 pt20 -112.83 176.78 4.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.7 mt -129.37 157.02 77.53 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.602 0.715 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 124.44 11.07 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -41.74 147.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.808 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -62.7 -38.0 88.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -60.53 -52.3 65.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.34 -59.6 5.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.468 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 26.6 tp -115.28 82.01 8.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.656 0.741 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -37.09 9.5 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.659 2.239 . . . . 0.0 112.317 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 8.1 pt-20 -52.53 -45.34 66.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 63.2 t80 -48.03 -40.49 22.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.956 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.468 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 11.0 m-85 -79.66 -21.72 44.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -67.79 -54.38 19.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.675 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -72.81 -47.13 49.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -68.42 147.09 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -93.81 -46.47 7.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.733 ' CB ' HD21 ' A' ' 86' ' ' LEU . 25.0 mmmt -132.23 84.51 52.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.552 0.691 . . . . 0.0 110.918 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 54.4 Cg_endo -69.7 83.61 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.663 HG21 ' OD1' ' A' ' 83' ' ' ASP . 5.2 p -107.15 165.21 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.651 ' HA ' HD12 ' A' ' 87' ' ' LEU . 2.8 p30 -145.86 -179.24 6.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CD2' ' HB2' ' A' ' 37' ' ' SER . 9.4 m-85 -68.58 -52.07 35.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.552 ' HD2' HG22 ' A' ' 41' ' ' ILE . 18.3 mtpp -42.87 -41.26 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 65' ' ' ILE . 4.9 mmmm -72.53 -62.88 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.626 HG23 HD12 ' A' ' 80' ' ' LEU . 58.1 mt -38.03 -42.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.453 ' HG2' HG21 ' A' ' 22' ' ' ILE . 6.2 mtpm? -72.86 -43.42 62.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -46.79 -46.44 20.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' CD ' ' HE3' ' A' ' 73' ' ' LYS . 69.9 mtt180 -59.33 -46.83 87.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 46.9 mt -52.37 -50.21 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -76.22 -25.64 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.84 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 72' ' ' HIS . 44.1 m-20 -94.45 20.1 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 71' ' ' ASN . 7.6 m-70 36.42 35.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HE3' ' CD ' ' A' ' 68' ' ' ARG . 6.8 ttpp -79.07 -51.55 9.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 5.3 m-85 -49.36 164.8 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.971 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -119.01 -36.83 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.85 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 58.3 m -160.77 156.38 25.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -41.48 -43.52 2.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -43.0 -39.88 3.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -68.29 -46.59 69.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.842 0.353 . . . . 0.0 110.847 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 84' ' ' VAL . 15.3 tp -62.52 -40.2 96.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -61.12 -61.26 2.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -54.09 -29.49 44.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.663 ' OD1' HG21 ' A' ' 60' ' ' VAL . 16.8 t0 -77.36 -38.26 50.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 80' ' ' LEU . 98.5 t -68.5 -54.19 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.8 mmt -57.91 -28.87 64.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.733 HD21 ' CB ' ' A' ' 58' ' ' LYS . 21.3 tp -73.54 -37.31 65.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.7 tt -61.27 -23.85 65.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 60.1 m -83.28 -51.43 7.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' ASN . 5.9 t60 -53.29 -54.04 42.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' HIS . 89.6 m-20 -36.37 -37.44 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.58 -53.74 8.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.419 ' HA ' ' CE1' ' A' ' 102' ' ' TYR . 73.8 mt-30 -50.63 -18.12 0.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.953 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.0 m -89.85 -53.55 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.675 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.8 t80 -83.44 -59.92 2.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.41 ' CG ' HG21 ' A' ' 101' ' ' ILE . 25.0 m-80 -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 37.9 mt -58.49 156.94 9.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 17.5 mt-10 -94.85 157.97 15.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.71 29.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 m -110.06 178.88 4.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.867 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 25.0 mm-40 -44.89 -67.71 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.41 HG21 ' CG ' ' A' ' 95' ' ' ASN . 58.9 mt -49.68 -53.49 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 16.3 t80 -45.35 -60.48 2.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.417 ' O ' HG23 ' A' ' 107' ' ' VAL . 6.3 mm-40 -48.45 -44.44 35.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.536 ' OD1' HD22 ' A' ' 36' ' ' LEU . 38.9 t0 -57.86 -51.92 67.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.2 p -48.76 -41.65 33.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.479 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.7 mp -68.55 -37.25 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.123 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.2 t -59.52 -53.19 51.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' VAL . 77.8 mt -34.31 -55.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -41.7 -66.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.8 t -41.98 -35.84 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.38 -48.2 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.493 ' CD2' HG11 ' A' ' 84' ' ' VAL . 31.3 t80 -53.77 -46.21 70.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -61.59 -63.71 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 41.2 t -42.59 -37.36 1.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.433 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -69.44 -57.32 5.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 24.2 ttp85 -50.8 -58.66 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -56.74 -50.82 71.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.0 t -126.52 108.22 10.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.41 ' HA3' ' HD2' ' A' ' 120' ' ' PRO . . . -103.2 -145.05 14.65 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.442 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.419 ' HD3' ' HB1' ' A' ' 20' ' ' ALA . 53.7 Cg_endo -69.78 -179.33 2.84 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.661 2.241 . . . . 0.0 112.36 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 122' ' ' SER . 2.7 t -151.59 170.84 18.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 121' ' ' SER . 35.8 m 37.25 47.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.456 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -96.3 134.81 38.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -142.74 155.99 44.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.51 -136.32 6.88 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.491 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 p -49.13 139.88 10.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.898 0.38 . . . . 0.0 110.804 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -140.65 128.92 22.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.42 159.77 26.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.443 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.7 m -114.0 143.44 29.65 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.667 0.746 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 173.25 11.25 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.68 2.253 . . . . 0.0 112.341 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -96.75 149.17 35.46 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.673 0.749 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 168.77 20.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.366 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -12.94 34.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.247 . . . . 0.0 112.365 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.8 ttmt -91.92 -20.09 21.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.574 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.7 OUTLIER -96.02 -61.52 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -43.99 -38.55 3.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 17' ' ' GLN . 1.7 tmtp? -67.76 -51.52 48.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' LYS . 13.0 tt0 -34.49 -54.02 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.3 mtt -61.81 -53.74 51.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -47.5 -49.18 26.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.59 -59.31 4.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.9 mt -53.85 -60.27 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.606 HG22 HD12 ' A' ' 26' ' ' ILE . 8.7 mm -56.14 -67.53 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.102 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -38.68 -38.97 0.45 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.488 ' HA ' ' ND2' ' A' ' 27' ' ' ASN . 33.2 m -64.19 -51.33 64.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.164 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ASN . 58.9 t -65.92 -58.24 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.606 HD12 HG22 ' A' ' 22' ' ' ILE . 48.5 mt -41.82 -25.49 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.488 ' ND2' ' HA ' ' A' ' 24' ' ' THR . 0.6 OUTLIER -99.76 -32.52 11.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 3.7 t80 -39.7 132.91 1.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' C ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -121.22 144.0 48.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -67.31 159.01 30.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.5 m -39.83 -35.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.8 p -56.24 -45.83 79.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.21 33.16 0.98 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 34' ' ' ARG . 18.9 ttp-105 -136.73 145.35 44.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.734 0.302 . . . . 0.0 110.905 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -82.59 100.73 10.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.619 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -50.81 -34.32 27.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.6 p -42.75 -24.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.818 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 36' ' ' LEU . 16.4 mt-10 -43.38 -63.91 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 m -66.96 -8.26 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.67 ' CD2' HD11 ' A' ' 108' ' ' LEU . 85.7 m-85 -111.03 20.05 17.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' A' ' 41' ' ' ILE . 8.7 mm -83.5 -57.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.456 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 17.5 pt20 -131.96 163.68 27.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 59' ' ' PRO . 16.2 mt -110.42 159.53 31.84 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.561 0.696 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.427 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.1 Cg_endo -69.74 124.63 11.28 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' ARG . 11.7 t -42.79 125.72 3.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 45' ' ' SER . 15.3 ttm180 -35.49 -42.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -57.12 -52.61 64.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -59.3 -51.87 68.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.6 tp -132.92 79.7 62.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.603 0.716 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.36 12.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -54.85 -42.0 71.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.488 ' O ' ' CG1' ' A' ' 56' ' ' ILE . 11.6 t80 -53.77 -27.5 29.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -87.35 -17.59 32.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -71.25 -57.97 3.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.591 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.75 -38.42 70.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.947 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.488 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 26.2 mm -75.27 119.22 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -61.15 -59.74 4.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.826 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 21.1 mttm -132.52 97.35 17.69 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.548 0.689 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' HB2' HD13 ' A' ' 43' ' ' LEU . 53.4 Cg_endo -69.8 84.01 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -99.17 149.94 5.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.0 m-20 -140.47 168.55 19.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -52.34 -30.0 26.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 12.6 mtpp -65.29 -33.34 75.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.6 mptt -86.08 -48.27 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 42.2 mt -49.59 -36.22 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.529 ' HA ' HD12 ' A' ' 69' ' ' ILE . 4.5 mmtp -78.85 -41.92 28.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.27 -59.89 3.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 22.9 mtt180 -43.74 -52.41 6.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 66' ' ' LYS . 65.4 mt -48.75 -45.82 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -70.24 -25.5 63.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -98.19 10.27 40.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 43.56 48.12 6.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.822 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -87.38 -37.35 17.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.404 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 20.6 m-85 -66.42 157.94 30.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.943 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -97.5 -37.45 9.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.9 p -168.39 159.47 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 tp -38.26 -37.71 0.3 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -44.7 -47.45 9.09 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.507 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -62.56 -58.03 9.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.809 0.338 . . . . 0.0 110.84 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.451 ' C ' ' O ' ' A' ' 79' ' ' ASP . 11.6 tp -34.42 -51.65 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -43.36 -71.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -42.14 -44.54 3.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -59.53 -48.65 80.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.909 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.532 ' CG2' HD11 ' A' ' 22' ' ' ILE . 79.8 t -69.02 -28.15 38.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.138 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.19 -47.49 50.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.1 -57.64 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.818 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -38.53 -43.87 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.532 ' N ' HD23 ' A' ' 87' ' ' LEU . 88.6 m -67.1 -63.88 0.97 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.4 t60 -40.38 -66.14 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.426 ' HB3' HD12 ' A' ' 56' ' ' ILE . 80.1 m-20 -37.33 -50.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -52.04 -45.13 64.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.131 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.406 HE21 ' CD1' ' A' ' 106' ' ' ILE . 70.6 mt-30 -70.02 -30.58 67.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 67.1 m -67.0 -32.15 73.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.591 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.3 t80 -94.47 -53.19 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -67.96 158.0 33.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.3 mp -78.01 169.67 17.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.509 ' O ' ' N ' ' A' ' 99' ' ' SER . 42.9 mp0 -79.2 169.44 18.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.4 30.31 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.469 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.2 t -94.16 165.45 12.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.905 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -53.35 -45.68 69.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.5 mt -75.86 -49.0 27.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.514 ' O ' HD12 ' A' ' 106' ' ' ILE . 54.9 t80 -37.25 -58.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -49.57 -44.51 46.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -50.21 -59.27 4.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 p -45.06 -43.16 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 102' ' ' TYR . 3.1 mp -64.69 -34.39 69.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 110' ' ' SER . 99.2 t -72.5 -60.84 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.67 HD11 ' CD2' ' A' ' 40' ' ' PHE . 42.7 mt -38.43 -36.92 0.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -66.66 -44.32 82.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 107' ' ' VAL . 1.7 t -62.1 -30.99 71.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.45 HG21 ' CG ' ' A' ' 28' ' ' TYR . 18.9 t -72.52 -43.35 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.14 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.482 ' CD2' HG11 ' A' ' 84' ' ' VAL . 22.5 t80 -58.16 -55.04 40.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -53.48 -52.08 60.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -56.2 -60.99 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.85 -31.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 36.0 ttt-85 -78.89 -52.44 8.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -42.54 -52.19 4.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.2 t -85.75 31.75 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 41.27 -101.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -168.49 0.28 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.669 2.246 . . . . 0.0 112.366 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 51.0 m -71.39 162.95 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.3 t -104.89 -51.45 3.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.1 p -165.75 169.83 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.935 0.398 . . . . 0.0 110.853 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.3 p -100.97 155.58 17.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.13 -52.79 0.1 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.449 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.8 t -105.59 -54.12 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.887 0.375 . . . . 0.0 110.884 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -48.61 -59.16 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.18 150.56 22.81 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 t -71.74 143.75 87.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.699 0.762 . . . . 0.0 110.849 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.2 Cg_endo -69.79 137.82 36.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 9' ' ' PRO . 4.3 m-20 -38.03 139.8 0.6 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 162.09 43.45 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.694 2.263 . . . . 0.0 112.318 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -7.64 21.57 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.355 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -93.88 -34.37 13.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' CD1' ' HE3' ' A' ' 18' ' ' MET . 2.1 tm? -82.6 -56.1 4.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.8 m -44.24 -42.6 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' GLN . 33.4 mttm -67.33 -57.23 7.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 35.7 tp60 -34.8 -57.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.52 ' HE3' ' CD1' ' A' ' 14' ' ' LEU . 8.0 mtm -54.2 -53.2 56.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -52.23 -49.71 63.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.64 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.515 HD11 HD11 ' A' ' 77' ' ' LEU . 38.7 mt -66.46 -66.46 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.121 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.454 ' O ' ' C ' ' A' ' 23' ' ' ASP . 10.1 mm -48.21 -59.67 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 22' ' ' ILE . 23.7 t0 -33.84 -53.13 0.44 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -63.42 -46.64 85.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.1 t -59.29 -60.27 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CG2' ' A' ' 22' ' ' ILE . 56.5 mt -56.88 -35.6 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.135 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.6 m-80 -105.23 44.04 1.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD2' HG21 ' A' ' 111' ' ' VAL . 33.0 t80 -103.66 134.05 47.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' CB ' ' HA2' ' A' ' 33' ' ' GLY . 15.4 pttp -90.96 141.57 28.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.619 ' HB2' HD11 ' A' ' 36' ' ' LEU . 35.8 t70 -109.26 -50.55 2.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -123.44 -74.29 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.2 p -112.86 49.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 34' ' ' ARG . . . 79.68 -41.56 2.35 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.456 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 33' ' ' GLY . 11.9 tpt180 -35.44 108.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.794 0.331 . . . . 0.0 110.896 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.44 ' CG ' ' HG3' ' A' ' 38' ' ' GLU . 9.8 pt20 -72.75 112.78 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.62 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -54.17 -33.72 58.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.518 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 82.1 p -48.09 -19.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.44 ' HG3' ' CG ' ' A' ' 35' ' ' GLN . 29.7 mt-10 -49.01 -57.79 5.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -67.92 -3.1 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -114.47 18.38 16.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.8 mm -88.22 -60.53 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.14 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -105.58 158.65 16.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.2 mt -127.07 156.19 74.78 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.709 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 112.65 3.14 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.7 m -41.48 146.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 43.6 ttt180 -54.21 -25.52 23.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -72.56 -56.67 5.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.31 -63.57 1.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 15.0 tp -119.41 83.49 26.62 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.627 0.727 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -41.85 3.95 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 16.7 pt-20 -47.88 -48.84 31.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.483 ' CZ ' HG13 ' A' ' 56' ' ' ILE . 83.0 t80 -42.48 -48.57 5.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.903 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -66.61 -31.04 71.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 51' ' ' GLU . 73.3 mt-10 -60.39 -57.64 11.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.928 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.548 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.97 -44.17 63.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.483 HG13 ' CZ ' ' A' ' 52' ' ' TYR . 19.1 mm -67.14 126.99 27.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -65.1 -65.17 0.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 59' ' ' PRO . 19.5 mtpt -132.49 93.18 25.66 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.881 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 58' ' ' LYS . 53.6 Cg_endo -69.78 91.22 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.666 2.244 . . . . 0.0 112.344 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.918 HG11 ' OD1' ' A' ' 83' ' ' ASP . 12.7 p -104.64 133.84 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.185 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 62' ' ' PHE . 50.5 p-10 -111.82 148.33 33.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.518 ' CE2' ' HB2' ' A' ' 37' ' ' SER . 6.8 m-85 -36.74 -63.1 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 62' ' ' PHE . 13.5 mtpp -34.58 -58.36 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 67' ' ' GLU . 16.1 tppt? -50.52 -59.2 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.5 mt -41.8 -37.0 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' HE3' ' N ' ' A' ' 66' ' ' LYS . 0.4 OUTLIER -73.97 -37.33 64.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' LYS . 10.1 tt0 -49.14 -51.69 30.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' ASN . 39.4 mtp85 -53.01 -61.68 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.3 mt -38.44 -40.71 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.8 mtm105 -80.49 -34.09 36.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 68' ' ' ARG . 39.3 m-20 -87.59 22.69 2.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 38.17 41.58 0.41 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -86.68 -37.78 17.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 80' ' ' LEU . 3.8 m-85 -64.63 145.31 56.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.6 ttp85 -99.49 -34.93 10.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.0 m -163.59 157.72 19.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD11 HD11 ' A' ' 21' ' ' ILE . 1.4 tt -42.48 -51.57 4.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.963 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.28 -48.04 3.62 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 -55.51 22.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 74' ' ' TYR . 25.2 tp -41.44 -49.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.9 tt0 -49.87 -59.23 4.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 28.0 mtpp -34.41 -45.45 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.918 ' OD1' HG11 ' A' ' 60' ' ' VAL . 10.4 t0 -73.7 -60.04 2.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.606 HG11 ' CD1' ' A' ' 112' ' ' PHE . 85.3 t -40.08 -50.43 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.0 mmt -66.54 -32.81 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 86' ' ' LEU . 1.4 tm? -67.53 -41.46 84.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.451 ' HB2' HG13 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -60.36 -37.9 82.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.408 ' N ' HD23 ' A' ' 87' ' ' LEU . 80.0 m -71.47 -58.4 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 89' ' ' HIS . 3.1 t60 -46.56 -47.21 19.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -52.79 -36.35 58.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.06 -59.71 4.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -52.83 -29.78 29.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.5 m -59.56 -57.07 14.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.548 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.0 t80 -78.71 -53.44 7.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -55.03 165.51 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 4.2 mm? -92.27 162.85 14.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 99' ' ' SER . 30.5 mt-10 -68.33 159.56 31.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 33.96 32.87 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 97' ' ' GLU . 36.4 t -94.4 153.3 18.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.873 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 99' ' ' SER . 8.6 tp-100 -34.15 -57.56 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 104' ' ' ASP . 71.5 mt -68.61 -45.72 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.625 ' O ' HD12 ' A' ' 106' ' ' ILE . 20.5 t80 -36.72 -61.12 0.56 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 107' ' ' VAL . 36.3 mt-10 -49.52 -39.21 33.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 4.5 m-20 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.8 p -54.79 -43.02 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.625 HD12 ' O ' ' A' ' 102' ' ' TYR . 4.5 mp -67.49 -55.42 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.426 ' O ' ' C ' ' A' ' 108' ' ' LEU . 95.4 t -50.8 -57.31 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 107' ' ' VAL . 74.1 mt -36.03 -52.82 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -47.96 -58.17 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.6 t -48.16 -32.43 6.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.47 HG21 ' CD2' ' A' ' 28' ' ' TYR . 15.3 t -72.62 -52.35 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.142 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.606 ' CD1' HG11 ' A' ' 84' ' ' VAL . 75.2 t80 -52.44 -53.98 38.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 66.6 mttt -57.02 -46.04 82.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -59.25 -36.66 75.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -65.41 -52.59 52.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -43.54 -60.82 1.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -59.8 -55.89 28.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 42.7 t -45.5 113.28 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 145.38 -99.35 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -28.75 24.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.727 2.285 . . . . 0.0 112.331 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 t -48.85 147.97 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 11.1 t -124.29 -56.32 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -141.32 141.04 33.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -145.98 161.66 39.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.806 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.03 48.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.0 t -106.07 163.56 12.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 0.0 110.902 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -109.63 94.33 4.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.15 96.16 1.98 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -138.31 144.02 41.26 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.695 0.759 . . . . 0.0 110.874 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 125.62 12.34 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.636 2.224 . . . . 0.0 112.351 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.43 143.93 85.99 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.587 0.708 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' ' 14' ' ' LEU . 53.7 Cg_endo -69.72 168.62 21.0 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -32.98 17.46 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.9 tptp -72.51 -29.75 63.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -91.81 -57.33 2.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -43.92 -43.51 6.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -68.96 -55.35 11.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -37.7 -56.94 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.7 mtm -53.04 -54.95 27.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -53.75 -59.47 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -39.28 -47.96 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.146 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.604 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 65.7 mt -59.76 -64.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.793 HG21 ' HD3' ' A' ' 66' ' ' LYS . 15.2 mm -53.2 -60.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 13.9 t0 -34.34 -48.83 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.8 m -66.32 -51.65 55.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 112' ' ' PHE . 46.7 t -59.24 -23.26 24.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.592 HD12 ' CG2' ' A' ' 22' ' ' ILE . 73.4 mt -97.26 -25.63 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.111 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 10.7 p30 -105.62 16.57 25.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 29' ' ' LYS . 34.6 t80 -81.14 146.5 30.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.933 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.492 ' O ' ' CE2' ' A' ' 28' ' ' TYR . 9.9 ptpp? -103.93 146.61 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.94 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -83.67 -59.08 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 64.5 p -130.44 -53.91 1.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.1 m -101.82 -73.18 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.32 26.23 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.449 ' O ' ' C ' ' A' ' 35' ' ' GLN . 4.5 tmm_? -100.02 77.1 1.98 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' CG ' ' HG3' ' A' ' 38' ' ' GLU . 9.0 pt20 -34.67 139.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.816 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -86.22 -26.08 25.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 p -53.02 -16.38 1.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.456 ' HG3' ' CG ' ' A' ' 35' ' ' GLN . 12.1 mt-10 -53.12 -44.05 67.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 3.1 m -80.85 -4.33 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.413 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 85.6 m-85 -115.01 13.74 17.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.796 HG22 ' HD2' ' A' ' 63' ' ' LYS . 36.3 mm -70.28 -57.22 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.137 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.9 -175.32 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.451 HD13 ' HE2' ' A' ' 52' ' ' TYR . 23.3 mt -134.41 158.43 75.19 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 132.24 22.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.332 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.2 t -50.93 156.62 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 57.8 mtp180 -64.8 -46.49 81.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.56 -44.58 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -72.97 -56.84 4.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' HG2' ' A' ' 51' ' ' GLU . 51.8 tp -123.95 75.27 57.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.709 . . . . 0.0 110.928 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -33.82 15.66 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HG2' HD12 ' A' ' 49' ' ' LEU . 5.4 pt-20 -55.75 -38.06 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' HE2' HD13 ' A' ' 43' ' ' LEU . 72.3 t80 -57.19 -21.73 35.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -95.9 -7.18 37.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -85.18 -53.85 4.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.546 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -75.39 -34.21 61.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 90' ' ' ASN . 38.6 mm -78.91 139.56 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -82.33 -58.16 3.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -132.37 85.51 48.54 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.55 0.69 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 87.61 0.55 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.368 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.591 HG22 ' N ' ' A' ' 61' ' ' ASP . 15.0 p -94.81 164.82 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.133 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.591 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -136.33 153.63 51.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -54.12 -28.98 43.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.796 ' HD2' HG22 ' A' ' 41' ' ' ILE . 19.5 mtpp -65.85 -25.85 67.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -85.99 -48.45 8.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.3 mt -48.99 -35.01 6.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.793 ' HD3' HG21 ' A' ' 22' ' ' ILE . 2.6 mmmm -80.09 -37.02 34.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -52.01 -41.8 62.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' HD2' ' CZ ' ' A' ' 74' ' ' TYR . 45.6 mtt-85 -65.65 -54.83 22.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 69.9 mt -46.85 -56.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 71' ' ' ASN . 10.4 ptm180 -59.36 -31.64 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 26.0 m-20 -94.47 20.68 8.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 39.24 29.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.442 ' HZ3' ' HA ' ' A' ' 74' ' ' TYR . 0.0 OUTLIER -66.49 -64.8 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.446 ' CZ ' ' HD2' ' A' ' 68' ' ' ARG . 12.8 m-85 -37.86 146.18 0.06 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -92.42 -34.73 14.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 77' ' ' LEU . 35.3 p -165.77 152.25 9.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 76' ' ' SER . 4.0 tp -35.97 -42.94 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.4 -48.37 3.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -59.37 -49.57 77.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 41.0 tp -44.68 -64.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 82' ' ' LYS . 59.1 tt0 -41.62 -63.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 81' ' ' GLU . 41.7 mtmt -35.76 -47.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -49.38 44.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.565 HG11 ' CD1' ' A' ' 112' ' ' PHE . 89.8 t -49.63 -54.51 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.132 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.4 mmt -62.4 -28.92 70.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -53.04 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.505 ' HB2' HG13 ' A' ' 60' ' ' VAL . 1.0 OUTLIER -49.67 -37.86 30.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 74.6 m -77.19 -51.65 10.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -49.72 -54.33 19.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.508 ' CG ' HG23 ' A' ' 56' ' ' ILE . 51.9 m-20 -49.62 -36.6 24.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -60.78 -63.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.138 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -47.15 -35.34 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.2 m -61.72 -36.74 81.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.1 t80 -92.97 -58.8 2.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.402 ' OD1' HD12 ' A' ' 101' ' ' ILE . 6.4 m-80 -58.35 135.19 57.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 97' ' ' GLU . 0.6 OUTLIER -61.07 153.91 24.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.854 ' N ' HD13 ' A' ' 96' ' ' LEU . 28.0 mt-10 -67.89 171.25 6.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.89 31.19 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.529 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.0 OUTLIER -98.25 -178.26 3.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 110.841 -179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -65.02 -56.68 11.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.402 HD12 ' OD1' ' A' ' 95' ' ' ASN . 81.9 mt -66.24 -47.56 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.143 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 41.0 t80 -38.19 -70.19 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -40.0 -40.5 1.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 1.0 OUTLIER -60.97 -55.96 26.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.9 p -44.39 -37.08 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.41 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -72.36 -38.27 60.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' LEU . 57.9 t -63.61 -57.13 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' VAL . 37.7 mt -35.93 -48.02 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -51.54 -55.61 18.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.7 t -52.39 -34.43 48.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.818 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 30.4 t -71.39 -43.98 72.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.126 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CD1' HG11 ' A' ' 84' ' ' VAL . 62.4 t80 -50.15 -63.61 1.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 116' ' ' ARG . 21.8 mtpt -44.54 -71.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m -38.14 -47.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.604 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -54.77 -40.55 69.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.114 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 113' ' ' LYS . 36.0 tpt85 -69.53 -33.32 72.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -59.79 -59.76 4.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.4 t -46.14 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.55 -90.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.471 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -21.05 33.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.349 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.5 t -67.19 93.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.0 t -126.91 -33.09 2.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.441 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 m -112.45 116.6 30.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.86 0.362 . . . . 0.0 110.835 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -166.49 138.42 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.71 165.6 24.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.42 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 p -95.69 170.41 9.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 m -129.58 151.46 50.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.73 120.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.529 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -66.94 140.2 96.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.66 0.743 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.545 ' HB2' ' CE1' ' A' ' 72' ' ' HIS . 54.1 Cg_endo -69.73 155.34 66.27 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.348 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -48.55 144.48 6.67 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.619 0.723 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 160.07 51.1 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.727 2.285 . . . . 0.0 112.357 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -13.78 35.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -86.19 -38.49 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.1 tp -79.72 -54.17 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 m -51.93 -53.28 42.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -46.14 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -40.59 -54.79 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.43 ' CE ' ' HB3' ' A' ' 74' ' ' TYR . 7.8 mtt -50.89 -51.49 51.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.475 ' ND2' HG21 ' A' ' 69' ' ' ILE . 10.6 m-80 -60.81 -59.63 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.64 -44.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.467 ' CD1' HD11 ' A' ' 77' ' ' LEU . 53.4 mt -65.67 -72.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.596 ' CG2' HD12 ' A' ' 26' ' ' ILE . 14.3 mm -43.81 -55.29 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' ILE . 15.4 t0 -38.18 -50.42 1.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.817 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.3 m -66.61 -59.2 3.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.4 t -45.46 -62.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.155 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.596 HD12 ' CG2' ' A' ' 22' ' ' ILE . 80.1 mt -52.56 -41.74 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -100.69 46.55 0.94 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 8.8 t80 -103.82 153.14 21.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.548 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 19.0 pttp -111.85 135.89 51.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.919 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 31' ' ' SER . 1.3 p30 -93.72 -50.95 5.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.469 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 33.1 t -130.1 -65.13 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.1 m -119.76 69.26 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 29' ' ' LYS . . . 50.85 31.16 23.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -78.84 130.55 35.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -91.39 104.93 17.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.0 mt -67.11 -46.28 74.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 40' ' ' PHE . 3.9 p -42.56 -24.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 37' ' ' SER . 21.4 mt-10 -36.53 -70.04 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.448 HG21 HD12 ' A' ' 101' ' ' ILE . 2.1 m -62.96 -15.22 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.669 ' HB3' HD11 ' A' ' 87' ' ' LEU . 50.8 m-85 -103.95 20.36 18.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mm -85.0 -67.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 11.5 tm0? -119.06 147.02 44.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.489 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 11.5 mt -98.62 156.02 36.11 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.723 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 148.9 66.21 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.361 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.3 t -67.08 120.09 13.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -42.16 -43.3 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -50.55 -49.18 56.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -73.58 -45.27 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD12 ' CG ' ' A' ' 51' ' ' GLU . 41.6 tp -127.73 76.37 77.23 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.586 0.708 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.09 3.7 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.684 2.256 . . . . 0.0 112.354 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' CG ' HD12 ' A' ' 49' ' ' LEU . 6.4 pt-20 -46.74 -43.82 18.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' HE2' HD13 ' A' ' 43' ' ' LEU . 63.4 t80 -50.14 -35.98 28.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -81.51 -20.86 39.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -69.57 -55.84 8.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.551 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -71.96 -40.83 68.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.579 HG23 ' OD1' ' A' ' 90' ' ' ASN . 14.2 mm -74.58 134.46 29.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -80.81 -57.97 3.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -127.68 86.78 57.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 43' ' ' LEU . 54.0 Cg_endo -69.74 89.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.541 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.2 p -109.8 163.69 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.898 ' HA ' HD12 ' A' ' 87' ' ' LEU . 14.8 m-20 -142.95 -176.82 5.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CD1' HG12 ' A' ' 26' ' ' ILE . 29.1 m-85 -71.1 -17.86 62.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' C ' ' HE2' ' A' ' 64' ' ' LYS . 19.0 mtpp -78.19 -28.43 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HE2' ' C ' ' A' ' 63' ' ' LYS . 0.9 OUTLIER -88.47 -43.42 11.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 89.1 mt -52.31 -52.05 27.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' GLU . 24.3 mttt -59.86 -55.43 34.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' LYS . 23.3 mt-10 -38.13 -53.83 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.6 mtp85 -50.36 -49.15 54.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.475 HG21 ' ND2' ' A' ' 19' ' ' ASN . 82.2 mt -51.12 -65.97 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.8 -12.39 17.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 36.2 m-20 -91.17 1.22 57.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.545 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 96.6 m-70 56.49 36.94 28.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -49.74 5.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.43 ' HB3' ' CE ' ' A' ' 18' ' ' MET . 4.9 m-85 -49.94 118.36 2.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.8 mmp_? -74.58 -38.0 62.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.3 t -152.1 172.13 16.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 21' ' ' ILE . 32.6 tp -63.34 -33.55 75.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -56.12 -43.89 88.63 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -54.39 -43.09 71.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.35 . . . . 0.0 110.869 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 84' ' ' VAL . 45.0 tp -55.41 -49.66 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.424 ' OE1' ' CE1' ' A' ' 112' ' ' PHE . 4.6 tp10 -48.3 -54.64 13.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -44.43 -54.22 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.86 -53.91 49.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.594 HG11 ' CD2' ' A' ' 112' ' ' PHE . 99.2 t -46.59 -54.32 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.2 mmt -60.33 -29.28 68.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 86' ' ' LEU . 0.3 OUTLIER -67.4 -54.91 16.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.898 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.0 OUTLIER -46.62 -37.64 8.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.973 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.559 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 57.2 m -72.46 -57.27 4.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -45.29 -60.08 2.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.579 ' OD1' HG23 ' A' ' 56' ' ' ILE . 62.8 m-20 -40.44 -29.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -69.44 -62.51 1.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.425 HE21 HD11 ' A' ' 106' ' ' ILE . 84.3 mt-30 -56.09 -22.35 27.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 95.1 m -76.03 -28.67 57.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.551 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.8 t80 -103.52 -57.99 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.552 ' ND2' HG21 ' A' ' 101' ' ' ILE . 41.2 m-80 -67.65 138.88 56.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.2 mp -52.72 -178.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 30.7 mt-10 -84.58 165.11 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.18 32.27 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.517 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.507 ' N ' ' O ' ' A' ' 97' ' ' GLU . 40.8 t -97.81 166.66 11.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.361 . . . . 0.0 110.817 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -41.9 -51.74 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.552 HG21 ' ND2' ' A' ' 95' ' ' ASN . 7.4 mm -67.69 -49.24 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' O ' HD12 ' A' ' 106' ' ' ILE . 8.7 t80 -41.19 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -48.97 -54.94 13.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -44.98 -46.66 11.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 108' ' ' LEU . 5.4 p -59.53 -44.04 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.818 -179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.0 -42.02 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 111' ' ' VAL . 97.1 t -63.09 -55.31 24.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 105' ' ' SER . 62.3 mt -38.86 -44.51 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -55.95 -55.45 32.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.9 m -53.57 -24.08 12.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 107' ' ' VAL . 6.0 t -82.98 -47.42 18.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CD2' HG11 ' A' ' 84' ' ' VAL . 51.1 t80 -54.97 -50.05 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -56.6 -64.25 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.5 t -52.91 -39.14 62.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.099 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 44.5 ttp85 -59.63 -57.8 11.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -38.46 -57.24 1.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 72.6 p -150.45 152.03 33.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -73.14 179.36 39.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 162.16 43.14 Favored 'Trans proline' 0 N--CA 1.465 -0.191 0 C-N-CA 122.718 2.278 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.8 p -173.82 143.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 39.9 t -73.43 86.75 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.501 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.5 t -131.09 166.31 21.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -99.84 -43.38 6.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.68 -70.7 0.51 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 m -71.16 151.56 44.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.892 0.377 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 m -109.69 159.69 16.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.21 114.03 0.64 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -133.12 127.27 19.96 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.655 0.74 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 136.78 33.84 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.337 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.8 m-20 -87.41 151.6 51.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.612 0.72 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 163.31 38.75 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -26.07 28.01 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.35 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.5 mmtt -69.53 -45.62 68.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.3 tp -75.73 -57.44 3.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 50.6 m -42.79 -49.02 5.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' GLN . 53.6 mttm -59.84 -58.47 8.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' LYS . 36.8 tt0 -35.63 -56.93 0.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.8 mtt -51.65 -52.17 50.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' ALA . 69.0 m-20 -58.16 -59.62 5.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -36.19 -36.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.567 ' HA ' ' HB1' ' A' ' 115' ' ' ALA . 49.9 mt -71.96 -68.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.438 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.1 mm -49.03 -56.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.406 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 10.0 t70 -38.14 -59.52 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.8 m -56.7 -41.36 77.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.123 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 21' ' ' ILE . 99.1 t -62.1 -62.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.116 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.7 mt -57.81 -36.47 55.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 43.2 m-20 -69.95 -39.73 75.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -41.25 148.7 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -133.33 152.8 51.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.99 -58.9 2.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.848 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 32' ' ' SER . 77.7 p -115.59 67.3 0.7 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.856 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 31' ' ' SER . 74.7 m 34.06 48.16 0.23 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.868 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 157.54 -45.39 0.49 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -65.32 80.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.822 0.344 . . . . 0.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -66.47 144.35 56.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.664 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -102.29 -49.87 3.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.941 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.6 p -42.45 -23.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 36' ' ' LEU . 39.6 mt-10 -50.62 -51.54 47.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 m -73.93 2.04 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -117.73 4.99 12.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 38.1 mm -73.11 -73.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -99.36 152.49 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.3 mt -103.05 159.21 29.99 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.646 0.736 . . . . 0.0 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.76 121.53 8.22 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.1 t -47.67 135.97 10.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' O ' ' N ' ' A' ' 50' ' ' PRO . 83.6 mtm180 -53.01 -41.34 64.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -54.47 -54.79 36.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -65.07 -55.83 16.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.555 HD21 ' CE2' ' A' ' 94' ' ' PHE . 59.0 tp -125.58 74.78 69.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.8 Cg_endo -69.74 -49.91 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.264 . . . . 0.0 112.34 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG2' HD12 ' A' ' 49' ' ' LEU . 9.5 pt-20 -40.42 -43.77 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.469 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 2.5 t80 -43.87 -42.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -72.0 -32.35 67.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.871 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -56.49 -61.69 2.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.515 ' H ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -63.73 -47.34 81.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.5 mm -68.71 135.79 27.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -87.98 -63.79 1.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -111.73 81.23 3.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.595 0.712 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 80.0 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.1 p -95.03 152.54 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' HD12 ' A' ' 87' ' ' LEU . 1.2 p-10 -129.06 -176.06 3.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -75.38 -36.41 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.416 ' O ' ' CD ' ' A' ' 67' ' ' GLU . 14.8 mmmt -58.76 -48.13 82.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -61.34 -59.27 5.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 73.4 mt -39.01 -47.82 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.174 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -62.95 -54.59 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' CD ' ' O ' ' A' ' 63' ' ' LYS . 1.4 mp0 -43.51 -60.1 1.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.931 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' GLU . 9.4 mmm180 -37.99 -50.74 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mt -55.99 -43.57 75.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -70.67 -30.39 66.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 72' ' ' HIS . 31.8 m-20 -94.33 21.36 7.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 71' ' ' ASN . 56.8 m-70 37.71 51.98 1.35 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.01 -41.97 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.1 138.66 58.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -91.15 -38.71 12.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.1 t -150.15 169.52 21.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.8 tp -55.37 -49.31 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.38 -40.33 2.64 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -57.25 -51.99 67.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.899 0.38 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.52 ' O ' HG23 ' A' ' 84' ' ' VAL . 40.6 tp -51.78 -43.67 63.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.79 -48.47 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -49.98 -54.87 17.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.13 -61.14 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.648 HG11 ' CD1' ' A' ' 112' ' ' PHE . 90.9 t -39.43 -57.8 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.152 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.614 ' HE2' HG12 ' A' ' 84' ' ' VAL . 38.2 mmt -59.34 -38.21 79.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.51 HD13 ' ND2' ' A' ' 90' ' ' ASN . 1.0 OUTLIER -60.04 -47.13 87.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.2 tt -56.48 -30.92 63.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 82.3 m -83.84 -16.41 44.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -82.34 -59.24 2.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.51 ' ND2' HD13 ' A' ' 86' ' ' LEU . 1.1 p30 -51.97 -31.07 27.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.77 -49.44 65.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.082 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -66.62 -30.49 70.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 94.9 m -62.48 -46.36 88.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.555 ' CE2' HD21 ' A' ' 49' ' ' LEU . 2.5 t80 -79.82 -58.25 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -62.47 152.65 33.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.7 tp -72.97 160.11 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 14.4 mp0 -69.72 161.51 29.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.36 32.26 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.7 t -92.23 -174.97 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.875 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -58.67 -62.4 1.89 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 62.2 mt -67.77 -40.62 84.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 19.2 t80 -41.44 -66.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -38.51 -41.79 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -59.16 -53.33 59.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 86.0 p -47.44 -34.01 6.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.558 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.0 mp -78.46 -41.99 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.15 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 108' ' ' LEU . 65.9 t -60.83 -61.46 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 107' ' ' VAL . 54.4 mt -36.42 -45.82 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -56.49 -56.56 19.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 18.7 m -50.8 -25.65 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.5 t -83.39 -40.75 16.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.648 ' CD1' HG11 ' A' ' 84' ' ' VAL . 45.9 t80 -57.49 -41.45 80.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.86 -46.65 77.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -53.41 -42.56 67.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -65.55 -44.36 87.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 35.5 ttt-85 -64.41 -41.77 96.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' SER . 38.7 mm-40 -63.6 -58.51 6.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' GLN . 2.8 m -38.49 -63.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 91.08 -162.6 28.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.468 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -43.14 2.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.682 2.254 . . . . 0.0 112.373 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.9 m -77.12 145.18 37.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.1 p -112.92 177.47 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.3 t -82.23 107.99 15.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.881 0.372 . . . . 0.0 110.806 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 36.3 m -36.21 137.67 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.891 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.7 -120.63 0.7 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.1 m -117.2 148.49 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.917 0.389 . . . . 0.0 110.858 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 m -47.49 114.5 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.04 -165.0 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.457 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.1 p -123.24 138.65 30.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.674 0.75 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 92.12 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -49.62 152.42 2.45 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.67 169.96 17.58 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -35.91 11.87 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.38 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.6 mmmt -64.04 -38.44 91.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.533 HD23 ' SD ' ' A' ' 18' ' ' MET . 6.9 tt -81.12 -59.15 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.3 m -42.6 -52.47 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 37.0 tptt -57.73 -45.25 86.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' HG2' HD22 ' A' ' 77' ' ' LEU . 33.0 tp60 -38.15 -54.91 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.533 ' SD ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -50.73 -57.05 9.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.495 ' O ' ' N ' ' A' ' 21' ' ' ILE . 71.9 m-80 -58.18 -60.73 3.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.81 -30.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.544 ' O ' HG23 ' A' ' 25' ' ' VAL . 45.9 mt -82.51 -48.82 17.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.168 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.601 ' CG2' HD12 ' A' ' 26' ' ' ILE . 17.0 mm -65.6 -53.1 42.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -45.6 -22.07 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.0 m -94.16 -33.57 13.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 21' ' ' ILE . 87.7 t -75.47 -51.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.601 HD12 ' CG2' ' A' ' 22' ' ' ILE . 94.9 mt -62.96 -35.46 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.534 HD22 ' N ' ' A' ' 27' ' ' ASN . 1.1 m-80 -71.11 -42.78 68.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.946 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' HB2' HG11 ' A' ' 111' ' ' VAL . 20.7 t80 -36.48 148.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.3 pttm -133.55 151.03 51.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.72 157.38 21.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.812 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 t -39.3 -43.19 1.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 t -62.0 -51.15 69.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.0 41.17 0.22 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 58.0 mtt180 -118.21 157.64 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.308 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -95.61 94.42 7.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -58.99 -43.21 91.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.6 p -43.06 -24.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -47.2 -57.96 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.9 m -71.01 -3.57 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.671 ' CD2' HD11 ' A' ' 108' ' ' LEU . 97.7 m-85 -113.6 8.63 17.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 ' HD2' ' A' ' 63' ' ' LYS . 10.1 mm -74.73 -56.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 167.38 14.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 15.7 mt -114.8 159.92 35.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.611 0.719 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HD2' ' CD2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.79 120.95 7.65 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.7 2.266 . . . . 0.0 112.376 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -39.99 155.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -68.65 -57.34 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -43.95 -44.3 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -68.16 -52.41 34.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD11 ' CD ' ' A' ' 51' ' ' GLU . 12.4 tp -131.98 79.34 67.54 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.597 0.713 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -18.76 36.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.663 2.242 . . . . 0.0 112.348 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.638 ' CD ' HD11 ' A' ' 49' ' ' LEU . 6.7 pt-20 -70.05 -41.4 74.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.521 ' O ' ' CD1' ' A' ' 52' ' ' TYR . 8.1 t80 -52.98 -22.95 6.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -94.6 -29.09 15.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.3 -61.41 2.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -66.63 -43.19 85.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.456 ' CG1' ' O ' ' A' ' 52' ' ' TYR . 49.8 mm -70.34 130.93 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 57' ' ' ARG . 4.6 mmm180 -71.78 -63.31 1.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' HB2' HD21 ' A' ' 86' ' ' LEU . 27.6 mttm -130.22 88.81 46.82 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.587 0.708 . . . . 0.0 110.859 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HB2' HD13 ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.77 111.93 2.94 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.665 2.243 . . . . 0.0 112.365 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -130.46 148.98 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.904 ' HA ' HD12 ' A' ' 87' ' ' LEU . 0.6 OUTLIER -124.07 -179.39 4.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.461 ' O ' ' N ' ' A' ' 64' ' ' LYS . 8.9 m-85 -65.43 -67.06 0.47 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.511 ' HD2' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -39.62 -26.58 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -78.68 -58.98 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.485 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 57.9 mt -42.19 -42.27 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HA ' HD12 ' A' ' 69' ' ' ILE . 36.2 mtmt -69.02 -33.95 74.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' LYS . 18.4 tp10 -60.01 -25.29 65.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 13.8 mmm-85 -82.52 -47.71 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 66' ' ' LYS . 82.0 mt -46.66 -56.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.097 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -62.48 -31.51 72.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 72' ' ' HIS . 86.8 m-20 -85.33 21.45 1.73 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 35.3 m-70 35.66 37.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -46.7 16.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -65.41 120.94 13.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -42.85 97.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.1 p -154.22 170.81 20.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 21' ' ' ILE . 24.1 tp -50.4 -47.79 56.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.932 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.88 -41.38 2.55 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.6 -53.44 56.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 16.2 tp -43.68 -50.65 7.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' LYS . 20.1 tt0 -48.46 -63.86 0.96 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.3 mtmm -37.25 -38.83 0.24 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.95 -58.35 3.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.758 HG11 ' CD1' ' A' ' 112' ' ' PHE . 92.1 t -41.94 -55.77 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.407 ' HE2' HG12 ' A' ' 84' ' ' VAL . 34.7 mmt -59.94 -32.02 70.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 58' ' ' LYS . 12.8 tp -69.2 -52.84 23.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.904 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.4 OUTLIER -53.43 -28.66 31.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 21.8 m -87.34 -19.0 28.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -84.39 -57.63 3.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.91 -19.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -75.54 -34.96 60.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.077 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -82.22 -29.78 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -62.25 -37.35 85.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -87.77 -59.28 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.744 ' OD1' HD12 ' A' ' 101' ' ' ILE . 16.8 m-80 -60.56 165.05 4.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.8 mt -87.11 169.09 12.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 18.1 mt-10 -73.54 162.65 29.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 35.74 30.04 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.476 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -91.18 177.83 6.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 110.858 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -58.14 -54.03 51.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.744 HD12 ' OD1' ' A' ' 95' ' ' ASN . 71.9 mt -71.31 -41.83 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 13.1 t80 -44.48 -66.33 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.91 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -40.6 -45.03 2.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.441 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -56.28 -55.8 28.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 76.7 p -45.28 -36.06 3.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.5 mp -74.4 -38.33 46.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.416 ' O ' HG23 ' A' ' 111' ' ' VAL . 90.5 t -65.21 -62.29 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.671 HD11 ' CD2' ' A' ' 40' ' ' PHE . 29.2 mt -39.08 -41.51 0.81 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -60.36 -51.02 71.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 34.7 t -56.52 -27.82 58.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.514 HG11 ' HB2' ' A' ' 28' ' ' TYR . 3.8 t -78.58 -41.43 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.14 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.758 ' CD1' HG11 ' A' ' 84' ' ' VAL . 71.3 t80 -55.83 -53.91 50.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -49.01 -56.22 9.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.0 m -60.58 -38.48 84.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.08 -38.51 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -74.78 -64.69 0.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -41.84 -65.82 0.41 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 61.0 p -106.37 139.24 41.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -113.69 174.95 16.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -23.18 30.93 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.692 2.261 . . . . 0.0 112.326 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -99.15 160.49 14.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.798 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 29.2 t -77.4 111.84 13.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.5 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -78.68 -42.19 29.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.393 . . . . 0.0 110.906 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -82.49 164.38 20.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.857 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.95 142.84 6.75 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -129.5 147.32 51.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.872 0.367 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -151.43 167.09 29.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.847 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.94 173.68 27.04 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.496 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 t -111.76 143.61 28.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.661 0.743 . . . . 0.0 110.848 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 121.54 8.24 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.681 2.254 . . . . 0.0 112.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.98 150.8 44.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.61 0.719 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 169.17 19.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -24.05 29.89 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.627 2.218 . . . . 0.0 112.356 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 ptpt -75.17 -35.66 61.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.55 HD23 ' C ' ' A' ' 14' ' ' LEU . 7.4 tt -84.2 -57.37 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.422 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 94.3 m -51.59 -53.43 38.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 19.8 tptm -45.65 -52.59 10.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -41.64 -49.37 4.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 43.8 mtt -52.72 -72.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.533 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -44.67 -47.85 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.856 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -45.08 -35.32 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' A' ' 115' ' ' ALA . 34.2 mt -81.1 -65.71 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.698 ' CG2' HD12 ' A' ' 26' ' ' ILE . 21.5 mm -46.68 -53.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 22' ' ' ILE . 8.1 t70 -35.4 -59.33 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 28' ' ' TYR . 92.4 m -55.64 -67.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 52.5 t -39.66 -62.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.698 HD12 ' CG2' ' A' ' 22' ' ' ILE . 51.1 mt -54.95 -33.53 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -106.02 30.55 5.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.514 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 0.9 OUTLIER -104.76 152.42 22.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 47.5 pttt -133.28 137.98 46.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -88.37 65.9 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.6 t 40.33 45.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.0 t -133.48 -46.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.63 -30.79 6.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -88.35 114.3 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.454 ' CB ' ' HG3' ' A' ' 38' ' ' GLU . 9.2 mt-30 -48.09 155.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.414 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.8 mt -99.61 -49.06 4.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.3 p -61.02 -22.11 64.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.801 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.454 ' HG3' ' CB ' ' A' ' 35' ' ' GLN . 23.5 mt-10 -50.25 -41.96 51.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 36' ' ' LEU . 2.8 m -82.16 -8.01 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.469 ' CE2' HD11 ' A' ' 108' ' ' LEU . 80.6 m-85 -114.05 18.36 17.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.457 HG22 ' HD2' ' A' ' 63' ' ' LYS . 34.6 mm -75.14 -64.24 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -107.78 154.62 21.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.0 mt -112.96 156.31 42.9 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.575 0.702 . . . . 0.0 110.934 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 119.91 6.79 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.715 2.277 . . . . 0.0 112.325 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 p -59.13 146.8 37.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -50.17 -49.98 50.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -44.51 -43.67 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -76.55 -57.38 3.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 44.8 tp -133.02 86.99 41.15 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.646 0.736 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -38.07 8.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 54' ' ' GLU . 8.6 pt-20 -50.79 -43.04 58.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.423 ' N ' ' CG ' ' A' ' 51' ' ' GLU . 88.4 t80 -44.35 -32.44 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -86.58 -28.8 23.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 51' ' ' GLU . 34.9 mm-40 -59.52 -48.02 83.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.643 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -82.04 -47.05 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.5 mm -69.28 134.7 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -83.22 -61.49 1.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.543 ' HB2' HD21 ' A' ' 86' ' ' LEU . 44.3 mttt -123.43 82.75 52.94 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.586 0.708 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 80.23 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.351 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.424 HG22 ' N ' ' A' ' 61' ' ' ASP . 14.7 p -88.83 154.77 3.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.1 OUTLIER -128.52 169.26 14.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' HA ' HD12 ' A' ' 65' ' ' ILE . 13.1 m-85 -69.29 -14.01 62.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.866 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HD2' HG22 ' A' ' 41' ' ' ILE . 22.1 mtpp -80.79 -24.27 38.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.438 ' HA ' ' CE ' ' A' ' 64' ' ' LYS . 1.4 mmpt? -88.2 -39.27 14.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 62' ' ' PHE . 26.9 mt -60.51 -38.16 77.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.114 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' HA ' HD12 ' A' ' 69' ' ' ILE . 33.7 mttt -71.97 -53.24 13.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -45.16 -56.13 5.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.418 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 10.7 mmm180 -43.71 -51.48 7.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' A' ' 66' ' ' LYS . 48.4 mt -53.38 -36.76 27.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.157 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 -76.15 -37.33 58.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -86.49 22.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 39.98 42.39 1.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -82.05 -58.61 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 68' ' ' ARG . 16.2 m-85 -56.0 147.75 19.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -102.19 -35.9 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.5 p -160.43 173.58 15.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.461 ' HA ' HD13 ' A' ' 77' ' ' LEU . 2.6 mm? -51.82 -34.59 40.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -52.95 -21.3 9.81 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -92.87 -33.49 14.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.369 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 84' ' ' VAL . 12.0 tp -74.28 -44.78 51.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.09 -49.69 76.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -57.05 -31.05 64.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.63 -38.35 23.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 80' ' ' LEU . 89.4 t -68.05 -60.98 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 32.6 mmt -51.18 -26.6 7.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 58' ' ' LYS . 43.8 tp -74.32 -48.59 27.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 87' ' ' LEU . 3.7 tt -53.32 -26.39 18.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.5 m -86.74 -36.67 18.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.433 ' CD2' ' C ' ' A' ' 89' ' ' HIS . 3.0 t60 -69.5 -52.62 24.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 58' ' ' LYS . 70.4 m-20 -51.57 -32.95 30.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.91 -36.81 75.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.083 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.453 HE21 HD11 ' A' ' 106' ' ' ILE . 92.0 mt-30 -71.01 -20.91 62.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 88.8 m -74.09 -33.52 63.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.104 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.643 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.6 t80 -94.98 -58.3 2.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 49.0 m-80 -52.72 172.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.532 ' O ' ' CD1' ' A' ' 102' ' ' TYR . 8.9 mp -94.16 174.23 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 99' ' ' SER . 4.1 mp0 -86.32 163.42 17.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.26 29.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.507 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.8 t -92.32 174.56 7.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.831 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -61.25 -54.36 45.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.15 -46.58 81.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.532 ' CD1' ' O ' ' A' ' 96' ' ' LEU . 24.7 t80 -41.8 -55.68 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -51.89 -38.73 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -55.22 -59.92 4.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.824 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.94 ' HA ' HD12 ' A' ' 108' ' ' LEU . 78.1 p -45.04 -42.96 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.9 mp -62.37 -50.16 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 111' ' ' VAL . 96.1 t -59.11 -51.83 67.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.94 HD12 ' HA ' ' A' ' 105' ' ' SER . 23.8 mt -35.83 -57.98 0.65 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -45.78 -59.45 2.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.2 t -49.5 -27.6 4.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 107' ' ' VAL . 14.7 t -80.1 -34.73 15.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.113 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -64.22 -50.57 67.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -58.54 -58.88 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.0 t -48.11 -42.07 28.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.433 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . -49.69 -59.79 3.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.075 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 115' ' ' ALA . 14.6 mtp85 -35.81 -57.06 0.68 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 48.1 mm-40 -74.33 -68.58 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.8 m -100.32 111.66 23.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -101.75 -99.09 2.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 141.71 46.04 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.377 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 67.0 m -140.09 158.09 44.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.5 t -134.95 118.76 17.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.5 p -48.49 159.72 0.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.841 0.353 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -115.13 151.28 34.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.45 170.58 14.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.482 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.4 t -128.0 -60.46 1.15 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.953 0.406 . . . . 0.0 110.884 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -85.06 125.64 32.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.57 -100.08 1.41 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 m -141.46 147.25 45.53 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.673 0.749 . . . . 0.0 110.868 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 122.25 8.94 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.684 2.256 . . . . 0.0 112.358 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -68.01 148.92 98.36 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.627 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 166.9 26.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.374 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -24.94 29.31 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -71.03 -47.03 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.41 ' CD2' ' HE3' ' A' ' 18' ' ' MET . 5.2 tt -72.97 -56.49 5.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 48.6 m -50.11 -44.22 52.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.2 tptp -64.44 -43.15 95.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.629 ' HG2' HD11 ' A' ' 77' ' ' LEU . 18.7 tt0 -52.95 -47.12 68.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.41 ' HE3' ' CD2' ' A' ' 14' ' ' LEU . 8.9 mtm -63.43 -45.79 89.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 20' ' ' ALA . 74.3 m-20 -59.74 -58.66 7.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -35.5 -43.23 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.674 HG21 ' CE1' ' A' ' 112' ' ' PHE . 19.2 mt -63.27 -65.35 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.166 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.624 ' CG2' HD12 ' A' ' 26' ' ' ILE . 12.1 mm -57.98 -57.63 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.6 t0 -34.17 -47.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.1 m -69.9 -44.42 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' ILE . 76.6 t -59.01 -52.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.624 HD12 ' CG2' ' A' ' 22' ' ' ILE . 76.2 mt -63.73 -38.34 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -95.32 34.98 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.405 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 6.9 t80 -106.96 154.96 20.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 64.8 mttt -122.66 135.85 54.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -103.84 -52.29 2.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.4 t -90.57 21.6 3.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.1 t 61.74 50.26 4.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 154.33 -52.68 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 34' ' ' ARG . 18.3 ttm105 -72.36 133.3 44.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.426 ' HB3' ' CD ' ' A' ' 38' ' ' GLU . 8.3 tt0 -94.5 146.66 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.661 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -100.78 -60.05 1.59 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.8 p -39.24 -25.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.821 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 36' ' ' LEU . 64.1 mt-10 -50.57 -51.44 48.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.646 ' CG2' ' CE2' ' A' ' 40' ' ' PHE . 9.2 m -73.53 2.66 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.646 ' CE2' ' CG2' ' A' ' 39' ' ' VAL . 42.3 m-85 -125.21 17.93 8.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.8 mm -75.24 -72.43 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -114.02 151.62 32.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.945 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -92.93 157.72 38.83 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.642 0.734 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 151.47 69.07 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.658 2.239 . . . . 0.0 112.391 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' GLU . 31.7 t -68.79 119.37 13.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 45' ' ' SER . 4.3 tmm_? -37.55 -34.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -68.21 -46.13 71.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' SER . 5.6 mm-40 -69.1 -51.88 34.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 94' ' ' PHE . 10.8 tp -126.03 76.03 71.77 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.559 0.695 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -47.92 0.84 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.674 2.249 . . . . 0.0 112.391 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -41.44 -46.11 3.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -46.35 -43.1 15.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -71.91 -30.22 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.944 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -59.87 -58.91 6.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -68.68 -48.33 64.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.41 HD13 ' HA ' ' A' ' 56' ' ' ILE . 12.7 mm -63.61 139.44 21.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -92.71 -61.61 1.56 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -118.14 84.9 23.05 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.582 0.706 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 128.15 15.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.702 2.268 . . . . 0.0 112.346 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.545 HG21 ' OD2' ' A' ' 83' ' ' ASP . 4.0 p -153.52 154.08 7.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.9 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.2 p30 -132.35 -175.49 3.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -66.59 -34.43 77.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.02 -65.67 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 64' ' ' LYS . 0.0 OUTLIER -45.67 -47.0 15.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.403 HG23 ' OH ' ' A' ' 74' ' ' TYR . 96.8 mt -51.35 -41.94 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.122 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -78.19 -38.78 42.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -47.53 -37.98 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -75.02 -29.67 60.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mt -60.44 -73.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.471 ' O ' ' CD2' ' A' ' 72' ' ' HIS . 0.0 OUTLIER -52.74 -30.62 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.424 ' N ' ' HG2' ' A' ' 70' ' ' ARG . 30.7 m-20 -72.26 -22.37 61.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.471 ' CD2' ' O ' ' A' ' 70' ' ' ARG . 18.1 m-70 72.47 54.13 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.847 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -109.98 -39.59 5.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.403 ' OH ' HG23 ' A' ' 65' ' ' ILE . 2.7 m-85 -47.82 145.86 2.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.39 -36.0 14.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.7 m -173.11 163.93 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.629 HD11 ' HG2' ' A' ' 17' ' ' GLN . 6.4 mt -46.0 -44.22 14.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -46.66 -33.75 6.46 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' LEU . 4.1 m-20 -72.17 -57.84 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.799 ' O ' HG23 ' A' ' 84' ' ' VAL . 37.6 tp -35.3 -43.21 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.907 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' LYS . 43.5 tt0 -61.78 -56.95 14.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 81' ' ' GLU . 13.4 mmtp -34.32 -48.66 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.545 ' OD2' HG21 ' A' ' 60' ' ' VAL . 9.2 t0 -73.27 -55.3 6.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 80' ' ' LEU . 96.8 t -40.15 -57.69 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.9 mmt -56.12 -43.84 78.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 28.9 tp -55.76 -49.47 73.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.9 HD12 ' HA ' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -49.91 -35.51 24.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.943 179.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 84.1 m -74.17 -40.13 62.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 90' ' ' ASN . 11.7 t60 -57.73 -62.44 1.8 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' HIS . 78.5 m-20 -36.49 -45.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.559 ' HB1' HD21 ' A' ' 95' ' ' ASN . . . -63.87 -59.18 4.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -47.68 -20.72 0.29 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 60.9 m -89.55 -50.33 6.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 49' ' ' LEU . 1.5 t80 -64.8 -59.41 4.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.559 HD21 ' HB1' ' A' ' 91' ' ' ALA . 0.3 OUTLIER -76.29 135.8 39.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.88 173.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 4.8 mp0 -79.52 167.03 21.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.11 27.74 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.493 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.2 t -92.04 174.83 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.34 . . . . 0.0 110.842 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -59.41 -46.67 88.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 39.0 mt -77.17 -29.16 16.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 23.7 t80 -59.05 -69.53 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -40.54 -48.5 2.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -47.47 -52.26 17.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.443 ' HA ' HD12 ' A' ' 108' ' ' LEU . 13.4 p -53.01 -38.63 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.417 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.0 mp -68.41 -41.2 83.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.425 ' O ' ' C ' ' A' ' 108' ' ' LEU . 84.4 t -63.22 -54.01 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.138 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 105' ' ' SER . 61.1 mt -36.11 -59.24 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -43.24 -57.66 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.9 t -47.32 -29.92 2.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.6 t -81.41 -43.21 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.674 ' CE1' HG21 ' A' ' 21' ' ' ILE . 77.1 t80 -63.63 -55.29 24.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.9 mttt -46.24 -58.66 3.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 48.3 m -57.12 -45.27 83.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 21' ' ' ILE . . . -47.02 -51.83 16.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 10.7 ttt-85 -59.98 -57.82 11.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -46.73 -62.75 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.9 t -56.62 93.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -127.7 -167.69 12.33 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -7.26 20.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.26 . . . . 0.0 112.319 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 38.5 t -100.05 -60.23 1.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 m -93.63 108.49 20.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.8 p -83.13 153.56 24.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.877 0.37 . . . . 0.0 110.859 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -128.89 142.71 50.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.27 166.63 14.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 t -76.92 116.62 17.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.839 0.352 . . . . 0.0 110.903 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.2 p -39.35 -38.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.31 80.5 0.14 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.3 m -121.46 156.97 57.55 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.649 0.738 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 139.64 40.89 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.344 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -68.2 146.13 97.88 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.657 0.741 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.69 23.68 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.715 2.276 . . . . 0.0 112.316 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.43 36.17 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' HA ' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -80.93 -54.07 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.3 -45.01 93.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.501 HG22 ' ND2' ' A' ' 19' ' ' ASN . 8.5 m -60.27 -65.87 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 31.3 tttp -37.44 -42.12 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 43.4 tp60 -60.36 -47.19 87.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 15' ' ' THR . 6.4 mtt -58.7 -63.61 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.501 ' ND2' HG22 ' A' ' 15' ' ' THR . 1.9 p30 -55.7 -35.23 65.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 16' ' ' LYS . . . -56.86 -37.78 71.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.0 mt -72.76 -60.12 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 23' ' ' ASP . 8.0 mm -55.81 -58.82 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 22' ' ' ILE . 30.2 t0 -34.23 -50.59 0.41 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.7 m -63.02 -60.3 3.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' HA ' HG11 ' A' ' 111' ' ' VAL . 74.1 t -45.48 -55.36 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.555 HD12 ' HD3' ' A' ' 66' ' ' LYS . 57.6 mt -60.92 -40.66 86.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -96.94 36.39 1.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.423 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 2.8 t80 -109.98 140.34 44.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -108.85 143.53 37.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.864 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -106.07 -62.76 1.33 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.848 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 t -140.39 139.22 35.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.821 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 t 58.34 36.13 25.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 49.61 25.0 6.2 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.526 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -95.9 109.52 21.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.757 0.313 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 26' ' ' ILE . 48.9 tt0 -57.99 155.95 10.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 36' ' ' LEU . 2.9 mp -103.32 -48.66 3.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -53.22 -15.78 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -54.08 -39.46 66.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.553 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.1 m -85.82 1.55 5.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.553 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 80.3 m-85 -119.83 9.07 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mm -66.04 -74.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.127 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -100.12 164.47 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.4 mt -121.47 157.97 54.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.589 0.709 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 129.45 17.67 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.691 2.26 . . . . 0.0 112.376 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 74.9 m -48.87 174.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -80.42 -40.98 25.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.5 tptp -63.11 -50.57 69.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -56.18 -59.13 5.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD1' ' CG ' ' A' ' 51' ' ' GLU . 25.6 tp -131.01 84.27 58.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.608 0.718 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -41.25 4.45 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.341 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.454 ' CG ' ' CD1' ' A' ' 49' ' ' LEU . 4.6 pt-20 -49.61 -39.27 34.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -49.28 -37.87 25.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -83.86 -19.41 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -70.3 -61.66 1.69 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -66.7 -44.96 80.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.946 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 49.6 mm -69.63 139.36 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -83.55 -61.14 1.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HB2' HD21 ' A' ' 86' ' ' LEU . 17.0 mttp -128.4 82.96 67.52 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 110.886 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 81.66 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.668 2.246 . . . . 0.0 112.348 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.767 HG11 ' OD1' ' A' ' 83' ' ' ASP . 7.8 p -88.05 154.89 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.09 166.13 16.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -65.89 -25.85 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.64 -53.66 31.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? -60.37 -42.02 94.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 50.1 mt -54.67 -40.23 50.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.555 ' HD3' HD12 ' A' ' 26' ' ' ILE . 23.4 mtmm -79.77 -39.42 30.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -54.74 -20.95 9.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -84.38 -37.09 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.06 -35.38 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -84.77 -22.78 29.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -94.09 18.63 10.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 42.54 40.6 1.99 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -85.36 -63.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -39.18 116.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.6 mmt-85 -68.76 -31.43 70.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 83.8 p -160.15 163.23 33.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.855 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.2 tt -55.5 -48.64 74.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -40.63 -39.13 1.71 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.473 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -59.09 -55.78 30.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.728 ' O ' HG23 ' A' ' 84' ' ' VAL . 29.2 tp -42.29 -39.43 2.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 82' ' ' LYS . 42.6 tt0 -60.99 -64.05 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 81' ' ' GLU . 88.1 mttt -36.78 -40.54 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.767 ' OD1' HG11 ' A' ' 60' ' ' VAL . 41.2 t0 -73.62 -62.88 1.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 80' ' ' LEU . 96.7 t -37.8 -57.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.2 mmt -56.6 -34.22 66.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.603 HD21 ' HB2' ' A' ' 58' ' ' LYS . 18.9 tp -67.52 -58.02 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' HB2' HG13 ' A' ' 60' ' ' VAL . 1.8 tt -43.26 -29.0 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.948 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 22.1 m -85.8 -41.37 15.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -60.01 -62.93 1.5 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -47.01 -39.06 11.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.26 -46.5 79.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -63.95 -40.6 96.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.978 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 30.0 m -51.69 -30.99 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.6 t80 -97.96 -55.62 2.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -63.24 157.51 22.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -72.65 178.56 4.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 99' ' ' SER . 1.4 mp0 -92.9 158.52 15.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.29 25.88 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.451 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 97' ' ' GLU . 3.3 p -88.75 170.96 10.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.345 . . . . 0.0 110.85 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -50.3 -50.75 49.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 46.8 mt -73.17 -48.11 44.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CE2' HD11 ' A' ' 106' ' ' ILE . 49.8 t80 -39.01 -66.0 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.486 ' O ' HG23 ' A' ' 107' ' ' VAL . 33.1 mt-10 -37.11 -36.75 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.9 OUTLIER -60.44 -61.39 2.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 99.8 p -40.63 -30.42 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.526 HD11 ' CE2' ' A' ' 102' ' ' TYR . 4.6 mp -83.18 -44.24 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 103' ' ' GLU . 88.3 t -62.89 -54.98 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.417 HD11 ' CE1' ' A' ' 40' ' ' PHE . 45.6 mt -37.78 -42.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -60.4 -58.35 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 33.2 t -48.99 -24.13 1.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.41 HG11 ' HA ' ' A' ' 25' ' ' VAL . 21.0 t -82.83 -44.31 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.582 ' CE2' HG21 ' A' ' 84' ' ' VAL . 10.5 t80 -60.1 -43.31 95.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -62.98 -60.68 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -54.62 -28.86 49.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.49 -27.51 61.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.119 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 14.8 ttt-85 -75.64 -54.53 6.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -58.51 -47.73 83.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.5 t -58.09 96.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -163.19 -146.9 4.87 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.492 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 92.85 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.704 2.27 . . . . 0.0 112.316 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.2 m -100.38 138.15 37.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -120.78 164.61 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 p -121.51 149.83 42.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.847 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -100.98 125.25 47.56 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 79.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m 49.32 54.59 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.873 0.368 . . . . 0.0 110.835 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 p -110.76 -41.19 4.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.35 168.93 18.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.3 p -139.15 152.99 70.93 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.632 0.73 . . . . 0.0 110.888 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.6 Cg_endo -69.77 105.83 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.445 ' C ' ' O ' ' A' ' 9' ' ' PRO . 27.1 m-20 -34.87 149.81 0.09 OUTLIER Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.604 0.716 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 167.78 23.42 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.666 2.244 . . . . 0.0 112.356 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -13.35 34.4 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -84.78 -40.86 16.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.0 tt -77.92 -50.93 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.0 m -50.48 -51.36 47.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.14 -37.43 82.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -57.71 -51.23 70.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.5 mtm -55.29 -49.45 72.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.2 m-80 -58.73 -44.31 90.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.3 -46.18 62.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.141 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.9 mt -63.93 -65.8 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.468 HD13 ' HA ' ' A' ' 22' ' ' ILE . 9.9 mm -51.53 -62.41 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' ND2' ' A' ' 27' ' ' ASN . 15.5 t70 -39.75 -50.18 2.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.7 m -60.19 -35.97 76.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.528 HG22 HG12 ' A' ' 111' ' ' VAL . 73.1 t -74.24 -70.09 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.582 HD11 ' CD1' ' A' ' 62' ' ' PHE . 82.2 mt -43.36 -43.73 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 23' ' ' ASP . 77.4 m-20 -61.59 -41.32 97.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.694 ' CD2' HG21 ' A' ' 111' ' ' VAL . 4.6 t80 -35.74 148.16 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.587 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 9.2 ptpp? -133.73 152.48 51.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -93.66 -67.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 t -92.19 64.67 4.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 39.47 38.16 0.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.852 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.462 ' O ' ' N ' ' A' ' 35' ' ' GLN . . . 162.54 -44.62 0.35 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.449 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -53.57 86.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.795 0.331 . . . . 0.0 110.882 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' GLY . 17.4 tt0 -67.66 94.6 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -47.63 -48.69 28.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.524 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 80.7 p -40.49 -28.5 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 36' ' ' LEU . 13.1 mt-10 -41.97 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 m -55.35 -13.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 87' ' ' LEU . 89.6 m-85 -107.02 21.02 18.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 63' ' ' LYS . 15.6 mm -93.89 -67.59 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.425 ' HG3' ' CD ' ' A' ' 63' ' ' LYS . 12.8 mt-30 -109.91 138.33 46.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.518 HD22 ' CE1' ' A' ' 52' ' ' TYR . 19.3 mt -85.0 158.86 58.23 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 0.0 110.906 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 138.29 37.55 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 31.4 t -51.02 134.77 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -53.12 -47.76 68.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 15.4 ttmm -60.38 -42.76 96.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -63.58 -52.82 59.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 28.7 tp -134.39 82.24 46.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.618 0.723 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -38.2 8.15 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.664 2.243 . . . . 0.0 112.365 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 10.5 pt-20 -52.6 -44.25 65.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CE1' HD22 ' A' ' 43' ' ' LEU . 35.4 t80 -43.82 -40.76 4.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.94 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.409 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 79.9 m-85 -80.42 -22.53 41.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 51' ' ' GLU . 35.3 mt-10 -67.99 -62.59 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.58 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.85 -48.24 77.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 27.7 mm -65.38 134.01 30.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -77.36 -62.66 1.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -127.79 87.17 56.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.546 0.688 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.409 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.8 Cg_endo -69.73 94.6 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.688 2.258 . . . . 0.0 112.379 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.536 HG22 ' N ' ' A' ' 61' ' ' ASP . 5.6 p -103.51 159.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.746 ' HA ' HD12 ' A' ' 87' ' ' LEU . 9.0 m-20 -142.38 156.04 45.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CD1' HD11 ' A' ' 26' ' ' ILE . 3.5 m-85 -43.37 -51.61 6.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.425 ' CD ' ' HG3' ' A' ' 42' ' ' GLN . 11.9 mtpp -45.37 -44.06 11.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.89 -50.99 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 96.4 mt -46.27 -45.95 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' GLU . 9.0 mtpm? -72.3 -50.66 25.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 66' ' ' LYS . 33.5 tt0 -36.92 -34.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 48.8 mtp85 -72.73 -56.04 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 76.1 mt -42.96 -41.59 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' HB3' ' NH1' ' A' ' 70' ' ' ARG . 1.3 ptp180 -77.46 -29.87 52.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -90.85 8.66 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 49.88 33.87 7.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -75.57 -44.68 41.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -52.6 147.67 8.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -94.92 -34.81 12.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.2 t -168.35 175.88 6.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 tp -52.66 -58.19 7.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.1 -42.83 1.72 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.445 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' LEU . 10.2 t0 -55.39 -59.75 4.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.838 0.351 . . . . 0.0 110.822 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ASP . 59.3 tp -34.68 -54.32 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' LYS . 30.3 tt0 -48.97 -54.15 16.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.886 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' GLU . 48.0 mttt -35.87 -39.51 0.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.99 -58.72 2.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.991 HG11 ' CD1' ' A' ' 112' ' ' PHE . 91.3 t -39.95 -54.52 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.544 ' HE1' ' CD2' ' A' ' 112' ' ' PHE . 36.5 mmt -56.37 -38.49 71.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.462 HD12 ' ND2' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -60.24 -62.27 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.746 HD12 ' HA ' ' A' ' 61' ' ' ASP . 7.3 tt -47.08 -22.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 77.5 m -93.3 -30.72 15.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -68.68 -55.57 10.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.462 ' ND2' HD12 ' A' ' 86' ' ' LEU . 0.8 OUTLIER -52.21 -26.0 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.62 -51.4 70.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.054 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.555 ' NE2' HD11 ' A' ' 106' ' ' ILE . 2.3 mm100 -77.46 -8.25 57.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 51.7 m -82.71 -59.19 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.164 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.58 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.2 t80 -71.01 -49.41 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.586 ' OD1' HD12 ' A' ' 101' ' ' ILE . 49.5 m-80 -79.58 164.73 23.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.36 170.98 8.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' SER . 19.1 mt-10 -60.96 168.91 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.36 26.98 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.499 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLU . 47.1 t -94.28 143.01 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.891 -179.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 99' ' ' SER . 1.7 tp-100 -35.22 -57.95 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.944 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.586 HD12 ' OD1' ' A' ' 95' ' ' ASN . 54.7 mt -65.21 -45.5 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.469 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 21.9 t80 -47.14 -57.84 4.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.77 -36.79 77.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -58.75 -34.14 71.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 p -68.09 -52.67 32.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.555 HD11 ' NE2' ' A' ' 92' ' ' GLN . 4.6 mm -38.22 -48.63 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 28' ' ' TYR . 80.9 t -61.23 -58.66 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.464 HD11 ' CE2' ' A' ' 40' ' ' PHE . 79.3 mt -36.39 -54.9 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -56.75 -56.79 17.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 32.4 t -49.11 -35.78 17.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.694 HG21 ' CD2' ' A' ' 28' ' ' TYR . 87.8 t -77.71 -24.64 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.991 ' CD1' HG11 ' A' ' 84' ' ' VAL . 62.9 t80 -76.29 -50.36 14.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -56.93 -57.02 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' SER . 14.5 t -59.32 -37.54 78.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 111' ' ' VAL . . . -53.47 -29.22 34.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.425 ' NH2' ' OE1' ' A' ' 81' ' ' GLU . 65.9 mtm180 -84.1 -23.18 30.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -132.18 40.07 3.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 2.4 t -80.43 86.76 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -146.96 -158.13 7.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 176.39 6.83 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 94.6 p -57.47 179.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.852 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 48.1 t -51.9 119.66 4.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -160.8 123.08 3.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -102.88 161.87 13.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.826 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.27 -51.74 2.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 m -59.59 -59.39 5.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -138.8 164.35 29.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.96 178.36 34.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 p -146.95 143.79 18.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.758 . . . . 0.0 110.849 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 135.14 29.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -49.6 144.39 9.48 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 166.74 26.53 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -12.15 32.41 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.722 2.282 . . . . 0.0 112.354 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -84.56 -39.09 19.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.3 tt -85.58 -52.66 5.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 55.4 m -49.63 -51.52 37.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mtpp -57.24 -49.09 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.903 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' ALA . 24.2 tt0 -40.54 -69.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.433 ' HE1' ' HB2' ' A' ' 74' ' ' TYR . 16.3 mtt -35.12 -71.58 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -43.7 -56.13 3.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . -38.79 -47.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.128 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.599 HD12 HD11 ' A' ' 77' ' ' LEU . 34.0 mt -60.1 -52.08 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.67 ' CG2' HD12 ' A' ' 26' ' ' ILE . 28.2 mm -58.82 -56.34 17.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 22' ' ' ILE . 35.9 t70 -34.39 -62.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.3 m -51.79 -38.61 56.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.464 ' N ' ' O ' ' A' ' 22' ' ' ILE . 69.7 t -70.82 -73.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 ' CG2' ' A' ' 22' ' ' ILE . 76.4 mt -42.11 -34.73 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 28' ' ' TYR . 2.0 m-80 -75.62 -43.83 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.596 ' CE1' ' O ' ' A' ' 29' ' ' LYS . 13.7 t80 -37.13 151.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.596 ' O ' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -134.19 158.91 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.863 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.457 ' HB3' HD21 ' A' ' 36' ' ' LEU . 5.6 p30 -89.75 -176.5 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.6 p -61.1 -19.55 61.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.6 m -92.47 5.33 51.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.09 16.92 35.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 36' ' ' LEU . 20.8 mtt85 -97.75 100.34 11.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.718 0.294 . . . . 0.0 110.844 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -40.17 94.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.576 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -47.04 -45.15 21.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 40' ' ' PHE . 86.5 p -40.0 -28.05 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' LEU . 19.5 mt-10 -40.29 -69.23 0.14 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -58.86 -13.4 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.644 ' CE2' HD11 ' A' ' 108' ' ' LEU . 61.2 m-85 -108.41 16.97 22.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 42' ' ' GLN . 10.5 mm -80.41 -74.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.12 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.514 ' N ' HG22 ' A' ' 41' ' ' ILE . 19.7 tp60 -130.29 114.59 15.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD2' ' HD2' ' A' ' 44' ' ' PRO . 13.1 mt -64.24 160.3 50.53 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.63 0.729 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.814 ' CG ' HD23 ' A' ' 49' ' ' LEU . 53.9 Cg_endo -69.79 145.72 57.8 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 51.3 m -56.01 167.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -79.74 -43.41 22.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.07 -26.14 64.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -93.62 -52.41 4.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' CG ' ' A' ' 44' ' ' PRO . 18.7 tp -121.57 69.86 24.4 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.595 0.712 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' TYR . 53.2 Cg_endo -69.8 -50.77 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.326 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' O ' HD23 ' A' ' 55' ' ' LEU . 7.7 pt-20 -38.11 -44.68 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.939 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.582 ' CE1' HG13 ' A' ' 56' ' ' ILE . 42.5 t80 -52.64 -44.89 66.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 50' ' ' PRO . 64.2 m-85 -73.23 -9.05 58.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 5.3 mm-40 -82.46 -47.34 12.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -82.29 -34.14 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.582 HG13 ' CE1' ' A' ' 52' ' ' TYR . 41.9 mm -74.76 137.66 22.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt180 -84.29 -60.32 2.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.735 ' HB2' HD21 ' A' ' 86' ' ' LEU . 51.6 mttt -125.52 85.54 58.55 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 104.89 1.39 Allowed 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.703 2.268 . . . . 0.0 112.389 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.544 HG11 ' OD1' ' A' ' 83' ' ' ASP . 5.6 p -122.6 162.04 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.154 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.478 ' HA ' HD12 ' A' ' 87' ' ' LEU . 74.2 m-20 -147.86 177.18 9.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.823 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.644 ' CD1' HD11 ' A' ' 26' ' ' ILE . 6.7 m-85 -60.1 -56.58 19.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.842 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.3 mtpt -49.84 -25.73 3.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -81.75 -53.42 6.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CG2' ' CD1' ' A' ' 80' ' ' LEU . 83.0 mt -51.51 -43.18 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' A' ' 69' ' ' ILE . 10.0 mmtp -61.68 -56.08 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.496 ' O ' ' ND2' ' A' ' 71' ' ' ASN . 10.6 tp10 -54.07 -24.15 16.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.536 ' HG2' ' CZ ' ' A' ' 74' ' ' TYR . 9.7 tpt180 -78.9 -31.97 45.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.831 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 66' ' ' LYS . 24.3 mt -77.23 -57.79 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -57.02 -14.93 4.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 67' ' ' GLU . 2.7 m-80 -95.07 11.71 31.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 49.85 30.8 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.856 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER -79.14 -17.63 54.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CZ ' ' HG2' ' A' ' 68' ' ' ARG . 10.2 m-85 -89.64 155.4 19.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.8 mtt-85 -113.81 -36.9 4.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.7 t -145.49 145.29 31.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 21' ' ' ILE . 18.7 tp -43.85 -52.51 6.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -38.94 -41.14 1.22 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' LEU . 14.6 t0 -54.7 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 110.852 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.471 ' CD1' ' CG2' ' A' ' 65' ' ' ILE . 53.8 tp -36.21 -49.68 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.932 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 82' ' ' LYS . 21.7 tt0 -45.17 -60.08 2.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 81' ' ' GLU . 38.6 mmtt -35.48 -49.65 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.544 ' OD1' HG11 ' A' ' 60' ' ' VAL . 14.3 t0 -66.35 -54.6 22.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 112' ' ' PHE . 99.2 t -45.07 -47.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 35.4 mmt -63.36 -36.91 85.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.735 HD21 ' HB2' ' A' ' 58' ' ' LYS . 25.7 tp -68.11 -49.54 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 61' ' ' ASP . 3.8 tt -45.77 -34.47 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 74.0 m -82.22 -49.44 10.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -52.41 -51.18 60.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -43.82 -44.2 6.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.17 -59.87 4.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -45.88 -34.52 3.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 24.2 m -63.59 -44.52 93.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.411 ' CD1' HD11 ' A' ' 55' ' ' LEU . 3.4 t80 -80.53 -57.06 3.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.471 ' OD1' HD12 ' A' ' 101' ' ' ILE . 48.4 m-80 -68.18 151.8 46.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mp -73.7 177.64 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' A' ' 99' ' ' SER . 21.8 mt-10 -75.37 159.58 31.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.25 27.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.466 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.6 t -87.1 168.76 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 0.0 110.845 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -48.52 -59.34 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.471 HD12 ' OD1' ' A' ' 95' ' ' ASN . 31.3 mt -67.34 -39.21 82.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.6 t80 -41.94 -67.22 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 107' ' ' VAL . 8.0 mm-40 -40.51 -49.87 2.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 104' ' ' ASP . 0.8 OUTLIER -46.89 -45.15 20.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.9 p -57.74 -36.61 72.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.19 -29.15 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.166 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 103' ' ' GLU . 58.0 t -73.05 -66.74 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.644 HD11 ' CE2' ' A' ' 40' ' ' PHE . 35.2 mt -34.39 -49.38 0.38 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -56.25 -50.43 71.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' VAL . 35.0 m -55.99 -26.54 48.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.3 t -84.97 -41.04 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.57 ' CD1' HG11 ' A' ' 84' ' ' VAL . 65.4 t80 -51.6 -51.66 53.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -54.34 -53.51 52.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.6 t -53.76 -44.13 69.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.86 -44.94 82.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.065 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 30.4 ttp180 -57.24 -37.27 72.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -81.99 -66.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 89.7 p -71.08 108.38 4.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -160.76 -133.87 1.56 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 107.02 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.714 2.276 . . . . 0.0 112.346 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -49.02 147.91 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.9 m -95.23 84.2 4.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.479 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -102.51 -46.08 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 0.0 110.827 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -96.84 -56.77 2.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.34 170.9 43.68 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.1 p -90.14 95.6 10.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.879 0.371 . . . . 0.0 110.827 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 t -165.26 140.87 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.84 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.23 50.51 0.1 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.3 m -55.67 139.08 69.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.698 0.761 . . . . 0.0 110.864 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 109.62 2.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.667 2.245 . . . . 0.0 112.363 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -41.45 149.19 0.39 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.565 0.697 . . . . 0.0 110.911 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 166.59 27.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.228 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -18.76 36.77 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.679 2.253 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -83.38 -33.27 25.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.645 HD13 ' C ' ' A' ' 14' ' ' LEU . 2.0 tm? -83.41 -59.5 2.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.5 m -43.06 -51.79 5.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 17' ' ' GLN . 17.3 mmmt -61.08 -52.82 63.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 16' ' ' LYS . 50.7 tt0 -35.29 -53.09 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 17.9 mtm -61.55 -46.16 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -57.86 -55.17 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -41.45 -40.78 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.085 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.461 HG21 ' CE1' ' A' ' 112' ' ' PHE . 17.8 mt -71.61 -72.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.156 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.57 ' CG2' HD12 ' A' ' 26' ' ' ILE . 13.1 mm -43.06 -54.25 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 22' ' ' ILE . 14.0 t70 -35.31 -62.44 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.9 m -57.31 -54.12 50.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.129 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.4 t -47.54 -64.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.57 HD12 ' CG2' ' A' ' 22' ' ' ILE . 91.9 mt -57.95 -42.35 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.6 m-80 -97.2 40.52 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.45 ' CD2' HG21 ' A' ' 111' ' ' VAL . 25.7 t80 -97.05 136.91 36.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -90.14 132.27 35.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -94.96 -52.98 4.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.889 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.6 m -129.44 -68.89 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' GLY . 90.2 p -117.74 75.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 32' ' ' SER . . . 38.05 45.12 1.62 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 23.7 tpt180 -118.04 89.43 3.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -49.56 127.11 14.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.696 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.3 OUTLIER -76.49 -20.43 56.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.2 p -56.4 -13.75 2.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -49.1 -55.13 13.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.4 m -75.02 5.58 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -126.34 19.47 7.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' CD ' ' A' ' 63' ' ' LYS . 7.2 mm -87.32 -74.96 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -97.72 148.87 22.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 21.9 mt -102.13 156.34 35.36 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.578 0.704 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.53 42.84 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 t -61.72 140.91 58.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 50' ' ' PRO . 62.1 mtm180 -56.05 -46.67 78.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -51.27 -54.27 27.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.28 -59.71 3.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' HG ' ' CB ' ' A' ' 52' ' ' TYR . 26.5 tp -117.81 70.88 7.44 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.616 0.722 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.46 ' N ' ' O ' ' A' ' 46' ' ' ARG . 53.7 Cg_endo -69.75 -50.08 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.363 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' HA ' ' CD ' ' A' ' 54' ' ' GLU . 2.3 pt-20 -39.95 -44.43 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.451 ' CB ' ' HG ' ' A' ' 49' ' ' LEU . 10.7 t80 -45.8 -42.32 12.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.975 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -73.29 -24.68 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' CD ' ' HA ' ' A' ' 51' ' ' GLU . 92.3 mt-10 -64.88 -61.79 1.96 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -62.41 -43.33 99.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.9 mm -78.49 143.98 11.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.15 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -111.27 -31.97 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.991 ' HB2' HD21 ' A' ' 86' ' ' LEU . 18.3 mmmt -121.01 67.94 16.12 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 79.93 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.383 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.498 HG22 ' N ' ' A' ' 61' ' ' ASP . 14.9 p -99.83 158.78 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.152 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 60' ' ' VAL . 0.9 OUTLIER -136.71 163.93 29.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -58.17 -27.64 64.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' CD ' ' O ' ' A' ' 41' ' ' ILE . 13.9 mtpt -66.86 -46.13 75.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 mmmt -62.12 -53.79 50.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 14.3 mt -45.18 -57.93 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 69' ' ' ILE . 4.5 mtpm? -53.27 -45.37 68.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -59.01 -46.66 87.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.546 ' HB2' ' CE2' ' A' ' 74' ' ' TYR . 17.3 mmt180 -53.16 -22.69 6.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.854 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' A' ' 66' ' ' LYS . 58.4 mt -81.12 -65.92 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -54.26 -22.53 12.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' N ' ' A' ' 73' ' ' LYS . 33.2 m-20 -92.54 16.75 11.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 71' ' ' ASN . 11.3 m-70 35.97 31.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER -72.54 -56.02 6.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 10.8 m-85 -45.62 159.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.436 ' HD3' ' N ' ' A' ' 75' ' ' ARG . 1.3 mpp_? -105.07 -29.96 10.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.1 t -165.03 163.19 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.452 HD11 ' CD1' ' A' ' 21' ' ' ILE . 22.8 tp -45.28 -42.88 10.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.12 -57.7 3.52 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.527 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.6 m-20 -41.47 -62.7 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.842 0.353 . . . . 0.0 110.849 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 79' ' ' ASP . 23.2 tp -35.73 -57.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 82' ' ' LYS . 37.3 tt0 -45.04 -66.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 81' ' ' GLU . 20.3 mtpp -35.94 -48.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.89 -53.38 47.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -50.87 -63.46 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.9 mmt -48.28 -36.26 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.991 HD21 ' HB2' ' A' ' 58' ' ' LYS . 16.1 tp -67.21 -52.19 44.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.454 HD23 ' C ' ' A' ' 87' ' ' LEU . 4.6 tt -50.06 -27.41 5.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 89.7 m -90.88 -24.76 20.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -74.04 -51.51 15.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.48 -16.94 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.3 -52.89 19.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -67.55 -27.6 67.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 57.8 m -63.23 -36.53 83.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.453 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.7 t80 -94.17 -55.21 3.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 101' ' ' ILE . 9.4 m-80 -66.48 153.44 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.23 166.59 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.547 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 35.5 mt-10 -72.57 159.52 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 37.08 27.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.8 t -88.16 169.92 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.857 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 22.5 mm100 -51.25 -54.31 27.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.584 HD12 ' OD1' ' A' ' 95' ' ' ASN . 97.1 mt -71.35 -33.43 50.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.547 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 49.6 t80 -45.59 -68.31 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -53.88 -42.79 69.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -47.45 -37.74 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.4 p -72.66 -45.45 58.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 2.9 mp -60.36 -30.85 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' LEU . 21.7 t -67.14 -62.09 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' VAL . 33.0 mt -34.44 -39.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -60.44 -58.01 10.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.4 t -49.6 -26.94 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.45 HG21 ' CD2' ' A' ' 28' ' ' TYR . 14.1 t -79.78 -38.72 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.126 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.461 ' CE1' HG21 ' A' ' 21' ' ' ILE . 48.5 t80 -64.44 -58.35 6.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -46.0 -47.49 16.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.9 m -71.56 -38.88 70.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -48.62 -30.72 5.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.3 mtm105 -74.07 -54.45 7.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -74.52 4.67 5.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.4 t -100.96 150.9 22.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -173.42 157.84 26.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -20.87 34.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.9 t -107.66 138.26 44.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 38.2 m -109.46 113.73 26.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.848 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.45 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -133.85 141.43 47.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.902 0.382 . . . . 0.0 110.83 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 t -128.2 99.01 5.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.6 151.59 1.96 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.456 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -109.83 118.52 36.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.864 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -122.61 107.09 11.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.73 61.42 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 59.8 p -158.98 144.02 11.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.673 0.749 . . . . 0.0 110.876 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.59 16.29 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.364 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -87.41 158.49 51.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.585 0.707 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 163.39 38.47 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.685 2.256 . . . . 0.0 112.316 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -19.59 36.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.703 2.268 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.3 -52.16 11.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.63 -49.08 57.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.493 ' O ' ' ND2' ' A' ' 19' ' ' ASN . 92.7 m -54.62 -61.64 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 0.6 OUTLIER -37.64 -62.1 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.758 ' NE2' HD12 ' A' ' 77' ' ' LEU . 5.7 tt0 -34.25 -61.27 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.0 mtt -41.7 -71.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.589 ' H ' ' ND2' ' A' ' 19' ' ' ASN . 0.1 OUTLIER -47.63 -41.65 22.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' O ' ' A' ' 17' ' ' GLN . . . -51.46 -31.52 23.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.66 HD13 HD21 ' A' ' 77' ' ' LEU . 43.6 mt -77.72 -62.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 84' ' ' VAL . 13.1 mm -50.9 -57.8 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.125 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.82 -28.28 0.62 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 52.8 m -84.3 -29.97 25.96 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.198 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 22' ' ' ILE . 89.6 t -79.9 -50.64 17.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.17 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.526 HG23 ' OG ' ' A' ' 37' ' ' SER . 98.9 mt -61.97 -40.22 86.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.166 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.524 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -66.93 -37.19 83.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -42.91 151.89 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -133.16 147.45 52.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -67.71 173.75 4.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 179.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 p -44.39 -68.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.843 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 21.7 t -47.36 -49.0 25.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.829 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.96 -13.27 3.35 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 30' ' ' ASP . 41.1 mtm180 -65.56 126.44 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.822 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.424 ' HB3' ' CD ' ' A' ' 38' ' ' GLU . 60.4 tt0 -58.16 148.78 25.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.838 HD23 ' CG ' ' A' ' 104' ' ' ASP . 6.0 mp -96.33 -59.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.526 ' OG ' HG23 ' A' ' 26' ' ' ILE . 43.5 p -40.61 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 36' ' ' LEU . 43.6 mt-10 -43.83 -63.89 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.669 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 3.3 m -66.2 -6.07 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.669 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 60.0 m-85 -114.17 21.17 14.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.3 mm -87.56 -69.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 43' ' ' LEU . 14.0 tm0? -102.1 150.38 23.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' O ' ' NE2' ' A' ' 42' ' ' GLN . 25.6 mt -104.67 158.23 32.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.8 Cg_endo -69.75 111.17 2.73 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.676 2.251 . . . . 0.0 112.336 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 44' ' ' PRO . 59.1 m -36.49 126.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -43.75 -45.8 7.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 tttp -52.44 -52.69 52.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.98 -61.71 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 18.9 tp -119.97 83.37 30.34 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.618 0.723 . . . . 0.0 110.867 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -36.18 11.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.339 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' HG2' ' CD1' ' A' ' 49' ' ' LEU . 11.3 pt-20 -54.78 -35.62 64.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -52.78 -35.41 56.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -87.43 -14.8 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -74.41 -55.24 6.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -74.77 -41.36 60.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.419 HG21 ' HB3' ' A' ' 59' ' ' PRO . 49.3 mm -72.88 125.1 31.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.146 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.29 -58.93 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -134.09 84.24 43.18 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.595 0.712 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HB3' HG21 ' A' ' 56' ' ' ILE . 53.9 Cg_endo -69.77 88.18 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.377 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.521 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.4 p -93.9 158.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.625 ' HA ' HD12 ' A' ' 87' ' ' LEU . 4.4 p-10 -136.66 171.34 14.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -65.25 -37.61 87.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -64.27 -21.74 66.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -88.46 -52.11 5.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 59.9 mt -52.0 -52.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.154 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' HE3' ' CD1' ' A' ' 26' ' ' ILE . 5.6 mtmp? -62.61 -28.82 70.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -68.14 -21.12 64.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.9 mtt180 -86.6 -45.04 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 82.9 mt -51.05 -46.57 31.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.435 ' HB2' ' NH1' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -71.92 -22.2 61.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -94.0 15.64 16.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.486 ' CD2' ' N ' ' A' ' 72' ' ' HIS . 1.0 OUTLIER 39.57 38.43 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -56.2 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.513 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 9.4 m-85 -46.11 171.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.911 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.57 -15.91 6.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 8.6 t -173.76 168.2 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.758 HD12 ' NE2' ' A' ' 17' ' ' GLN . 1.3 tt -53.5 -44.16 68.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -42.06 -55.97 4.03 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.513 ' HB3' ' CD1' ' A' ' 74' ' ' TYR . 1.2 m-20 -48.46 -41.91 31.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.837 0.351 . . . . 0.0 110.861 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.794 ' O ' HG23 ' A' ' 84' ' ' VAL . 53.4 tp -60.91 -34.84 75.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.468 ' OE1' ' N ' ' A' ' 82' ' ' LYS . 8.4 tm-20 -67.76 -60.93 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.468 ' N ' ' OE1' ' A' ' 81' ' ' GLU . 36.0 mtpt -39.12 -45.81 1.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -69.09 -63.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 80' ' ' LEU . 94.3 t -40.11 -57.61 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.47 ' HE2' HG12 ' A' ' 84' ' ' VAL . 35.6 mmt -53.08 -42.98 66.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' ' 89' ' ' HIS . 8.6 tp -59.62 -59.04 6.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.625 HD12 ' HA ' ' A' ' 61' ' ' ASP . 2.8 tt -43.23 -25.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 73.2 m -92.56 -29.28 16.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 86' ' ' LEU . 6.8 t60 -75.4 -51.95 11.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.38 -15.46 2.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -73.7 -52.83 11.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.132 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.461 ' HB3' ' CE2' ' A' ' 102' ' ' TYR . 47.9 mt-30 -61.72 -33.21 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 63.3 m -57.71 -44.92 86.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.153 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.566 ' CD1' HD11 ' A' ' 55' ' ' LEU . 2.0 t80 -89.72 -59.67 2.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 58.6 m-80 -60.29 145.02 49.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.0 mp -52.03 176.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.584 ' HA ' ' CD2' ' A' ' 102' ' ' TYR . 17.0 mt-10 -98.91 166.26 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.6 31.85 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.465 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' ' 97' ' ' GLU . 4.0 p -100.03 -174.81 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.811 0.338 . . . . 0.0 110.861 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -62.2 -61.83 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.929 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 104' ' ' ASP . 46.0 mt -59.69 -58.33 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 97' ' ' GLU . 7.1 t80 -34.31 -52.29 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -58.16 -44.03 87.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.838 ' CG ' HD23 ' A' ' 36' ' ' LEU . 10.3 t0 -52.54 -47.59 66.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.2 p -51.22 -41.95 60.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.481 HD11 ' CE1' ' A' ' 102' ' ' TYR . 2.7 mp -65.42 -48.63 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.087 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 108' ' ' LEU . 91.3 t -50.99 -62.77 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.664 HD21 ' CB ' ' A' ' 36' ' ' LEU . 34.0 mt -36.1 -49.49 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -53.27 -62.16 1.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.0 t -45.8 -27.66 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.2 t -79.22 -44.85 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.635 ' CE2' HG21 ' A' ' 21' ' ' ILE . 7.2 t80 -59.43 -58.45 8.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -46.36 -59.31 3.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.3 m -58.08 -16.66 13.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 112' ' ' PHE . . . -82.32 -62.11 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.079 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -55.64 -21.39 17.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -92.1 -37.68 12.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.8 t -76.76 98.52 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 158.07 131.16 1.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.497 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 176.12 7.24 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.688 2.259 . . . . 0.0 112.287 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.9 p -133.95 -46.61 0.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 86.28 5.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.87 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.961 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 p -100.35 124.03 45.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.869 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.6 m -91.97 -49.5 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.21 121.35 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.5 p -86.64 -39.1 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.859 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -132.98 109.6 9.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.46 -55.58 0.43 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 97.8 p -93.71 140.03 22.93 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.664 0.745 . . . . 0.0 110.872 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 135.71 31.07 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.315 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.7 p30 -42.46 152.72 0.33 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.4 34.72 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.348 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -47.64 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.352 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -49.98 -32.77 15.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 28.4 tp -79.65 -56.16 4.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.7 m -48.96 -55.64 11.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.31 -60.67 1.61 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -43.24 -46.54 6.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.6 mtm -61.3 -46.03 91.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 m-20 -59.82 -48.92 79.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.43 -57.88 4.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.142 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.1 mt -49.55 -70.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 25' ' ' VAL . 8.3 mm -46.64 -65.69 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 22' ' ' ILE . 4.5 t70 -34.6 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' ILE . 52.9 m -78.37 -44.27 25.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 22' ' ' ILE . 99.6 t -61.73 -58.09 9.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG12 ' CD1' ' A' ' 62' ' ' PHE . 86.2 mt -55.56 -49.67 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 28' ' ' TYR . 93.5 m-20 -59.95 -45.68 91.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.418 ' C ' ' O ' ' A' ' 27' ' ' ASN . 31.9 t80 -37.12 141.77 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 7.7 ptpp? -133.02 158.86 41.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.437 ' N ' HD11 ' A' ' 36' ' ' LEU . 18.6 p-10 -111.34 -57.43 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.1 m -70.23 -175.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 m -78.28 46.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 140.55 -53.92 0.66 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -53.58 118.52 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.321 . . . . 0.0 110.885 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -76.9 170.21 16.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.537 HD23 ' CG ' ' A' ' 104' ' ' ASP . 5.5 mp -96.58 -62.55 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 40' ' ' PHE . 12.7 p -42.35 -23.36 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' LEU . 31.4 mt-10 -42.99 -61.0 1.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.65 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.6 m -65.49 -12.26 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.65 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 31.7 m-85 -105.4 20.38 18.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.499 HG23 ' HD3' ' A' ' 63' ' ' LYS . 17.2 mm -91.18 -74.38 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.18 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -95.5 128.79 42.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.37 155.98 41.99 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' O ' ' C ' ' A' ' 45' ' ' SER . 53.4 Cg_endo -69.82 89.13 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.639 2.226 . . . . 0.0 112.334 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 44' ' ' PRO . 6.7 t -34.76 145.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 45' ' ' SER . 18.4 mmm-85 -37.08 -37.48 0.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.5 tptp -66.16 -47.86 72.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 45' ' ' SER . 6.8 mm-40 -56.72 -50.09 73.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.908 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.442 HD21 ' CZ ' ' A' ' 94' ' ' PHE . 3.4 tp -164.58 105.01 0.84 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.628 0.727 . . . . 0.0 110.867 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' GLU . 53.6 Cg_endo -69.75 -31.46 20.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.358 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' GLU . 1.1 tt0 -36.81 -63.38 0.42 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 51' ' ' GLU . 27.5 t80 -36.19 -55.32 0.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.917 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -66.38 -35.35 80.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' GLU . 18.1 mt-10 -55.33 -54.45 43.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.818 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -80.03 -49.39 11.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 41.7 mm -65.7 140.47 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.2 mtm180 -90.84 -62.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.924 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.14 80.32 11.73 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.587 0.708 . . . . 0.0 110.928 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 123.13 9.82 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.6 p -129.3 159.61 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.695 ' HA ' HD12 ' A' ' 87' ' ' LEU . 5.7 p30 -141.82 169.24 17.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.444 ' CD1' HG12 ' A' ' 26' ' ' ILE . 17.6 m-85 -56.79 -34.45 67.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HD3' HG23 ' A' ' 41' ' ' ILE . 19.1 mmmt -60.15 -45.51 92.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -50.88 62.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.2 mt -46.1 -58.42 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HD2' ' CD1' ' A' ' 26' ' ' ILE . 14.3 mtpt -58.61 -48.89 79.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 70' ' ' ARG . 17.8 tt0 -42.61 -34.21 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -72.5 -48.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 81.3 mt -50.66 -31.39 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.403 ' CG ' ' O ' ' A' ' 67' ' ' GLU . 9.0 ptp180 -88.03 -39.16 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -80.04 11.83 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 49.15 47.0 22.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -92.09 -46.25 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -62.41 123.81 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.8 mmm180 -76.35 -37.79 56.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 79' ' ' ASP . 5.3 t -164.04 -175.05 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.79 -45.67 85.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -39.13 -59.78 1.72 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.529 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.449 ' CG ' ' O ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -54.79 -56.51 18.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.53 ' O ' HG23 ' A' ' 84' ' ' VAL . 50.4 tp -38.52 -48.17 1.37 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -59.3 -52.19 66.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.5 mmtm -42.82 -41.78 3.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.08 -60.52 2.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.899 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.567 HG11 ' CD2' ' A' ' 112' ' ' PHE . 91.4 t -41.01 -45.48 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.454 ' HE2' HG12 ' A' ' 84' ' ' VAL . 34.1 mmt -70.28 -45.91 65.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.5 tp -53.7 -36.86 62.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.954 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.695 HD12 ' HA ' ' A' ' 61' ' ' ASP . 5.3 tt -65.58 -42.85 91.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 86.2 m -70.67 -51.31 28.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -50.64 -54.17 25.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.3 m-20 -53.05 -37.2 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 88' ' ' CYS . . . -52.56 -54.73 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.41 ' HG2' ' CE1' ' A' ' 102' ' ' TYR . 63.9 mt-30 -61.52 -39.09 89.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 91.3 m -51.61 -41.56 61.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.818 ' CD1' HD11 ' A' ' 55' ' ' LEU . 1.3 t80 -94.06 -59.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.404 ' OD1' HD12 ' A' ' 101' ' ' ILE . 59.8 m-80 -59.06 120.66 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 7.0 tp -40.07 160.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 102' ' ' TYR . 8.7 mp0 -75.95 160.14 30.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 38.17 26.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 97' ' ' GLU . 1.3 t -87.98 -176.26 5.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.843 0.354 . . . . 0.0 110.853 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -63.24 -55.72 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.407 ' O ' ' C ' ' A' ' 102' ' ' TYR . 86.4 mt -69.38 -39.9 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.531 ' CD1' ' HA ' ' A' ' 97' ' ' GLU . 58.5 t80 -37.94 -72.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 106' ' ' ILE . 48.8 mt-10 -42.55 -58.8 2.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.537 ' CG ' HD23 ' A' ' 36' ' ' LEU . 4.1 t0 -39.62 -43.15 1.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.3 p -61.77 -42.95 99.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 103' ' ' GLU . 3.0 mp -66.47 -43.38 90.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' LEU . 19.5 t -56.54 -59.84 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 107' ' ' VAL . 46.2 mt -34.24 -54.58 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -60.63 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.0 t -43.37 -37.65 2.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 63.2 t -69.12 -40.9 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.177 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CD2' HG11 ' A' ' 84' ' ' VAL . 1.6 t80 -63.96 -32.27 73.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -61.1 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.7 t -62.79 -44.21 96.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -40.46 -43.31 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -56.17 -54.35 46.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -75.98 -60.9 2.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 27.0 t -65.76 114.17 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -137.19 -160.52 8.63 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -34.45 14.44 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -172.15 132.49 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.8 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.0 p -57.57 91.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.845 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 t -52.5 158.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.884 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.9 t -132.42 149.2 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.814 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 40.93 74.22 0.16 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.5 p -52.62 130.99 33.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -64.44 155.65 31.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.94 98.61 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.479 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 60.7 p -93.95 144.01 27.4 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.665 0.745 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 126.16 12.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -66.22 143.11 98.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.638 0.733 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 167.52 24.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.381 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -12.87 33.68 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -87.65 -35.54 17.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 14' ' ' LEU . 1.8 tm? -81.7 -54.07 5.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.7 m -43.55 -53.64 5.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 35.2 tttm -57.35 -52.85 63.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' LYS . 49.3 tt0 -35.08 -57.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.4 mtm -56.74 -46.38 81.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.1 m-80 -57.13 -49.24 76.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -41.76 28.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.688 ' CD1' HD11 ' A' ' 77' ' ' LEU . 28.1 mt -68.79 -67.69 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.645 ' CG2' HD12 ' A' ' 26' ' ' ILE . 10.8 mm -50.53 -59.95 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 22' ' ' ILE . 6.0 t70 -35.78 -54.57 0.73 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 92.6 m -58.3 -62.04 2.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.6 t -48.54 -69.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.149 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.645 HD12 ' CG2' ' A' ' 22' ' ' ILE . 39.3 mt -44.08 -47.56 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.483 HD22 ' N ' ' A' ' 27' ' ' ASN . 0.9 OUTLIER -58.79 -40.75 84.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.453 ' C ' ' O ' ' A' ' 27' ' ' ASN . 44.1 t80 -34.33 135.95 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -126.84 141.19 51.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.902 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.472 ' HB2' HD21 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -78.08 -45.49 23.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 t -109.91 36.68 2.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m 44.78 40.98 4.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.12 -41.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.59 125.57 53.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.872 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -86.37 118.98 26.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.631 HD12 ' H ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -52.67 -28.98 24.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.1 p -56.14 -20.2 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -46.61 -59.97 2.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.595 ' CG2' ' CE1' ' A' ' 40' ' ' PHE . 5.2 m -57.38 -12.75 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.132 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.595 ' CE1' ' CG2' ' A' ' 39' ' ' VAL . 50.8 m-85 -105.86 -15.18 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.9 mm -53.12 -62.43 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.433 ' HB3' ' CD ' ' A' ' 63' ' ' LYS . 0.3 OUTLIER -129.66 148.21 51.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.626 ' H ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -130.62 164.08 44.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 110.889 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.438 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 54.3 Cg_endo -69.69 119.82 6.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.669 2.246 . . . . 0.0 112.361 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.1 m -57.89 177.78 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.498 ' HG2' ' CD2' ' A' ' 53' ' ' TYR . 42.7 mtt-85 -52.91 -42.51 65.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -60.08 -56.34 22.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -58.46 -61.41 2.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HA ' ' HD2' ' A' ' 50' ' ' PRO . 7.2 tp -125.44 94.28 43.25 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HD2' ' HA ' ' A' ' 49' ' ' LEU . 53.4 Cg_endo -69.82 -50.84 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.461 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 5.0 pt-20 -42.27 -42.33 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -53.85 -40.77 66.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.964 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' HG2' ' A' ' 46' ' ' ARG . 27.5 m-85 -81.47 -2.2 48.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.945 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -90.86 -52.04 5.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD11 ' CD1' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -80.57 -35.98 33.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.7 mm -79.17 139.38 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.117 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.23 -44.61 10.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.776 ' HB2' HD21 ' A' ' 86' ' ' LEU . 84.5 mttt -133.06 83.41 51.69 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 83.64 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.347 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.56 HG22 ' N ' ' A' ' 61' ' ' ASP . 11.1 p -99.09 165.24 2.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.56 ' N ' HG22 ' A' ' 60' ' ' VAL . 55.1 p-10 -146.56 155.57 42.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.561 ' CD1' HD11 ' A' ' 26' ' ' ILE . 11.0 m-85 -48.83 -38.92 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' CD ' ' HB3' ' A' ' 42' ' ' GLN . 13.6 mtpp -54.59 -45.11 73.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -73.15 -46.58 50.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 61.9 mt -49.96 -40.17 16.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -79.23 -38.75 34.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 68' ' ' ARG . 2.9 tm-20 -49.65 -68.08 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.469 ' HG3' ' CE2' ' A' ' 74' ' ' TYR . 6.1 ptm180 -36.59 -50.0 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.7 mt -44.98 -46.52 2.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.2 mtp180 -71.96 -21.38 61.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 72' ' ' HIS . 9.1 m-80 -101.64 21.91 13.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 71' ' ' ASN . 3.4 m-70 35.21 42.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 mmmt -82.6 -48.92 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 68' ' ' ARG . 3.0 m-85 -46.04 164.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.0 mtp180 -112.73 -32.36 6.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.2 t -166.32 168.99 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.688 HD11 ' CD1' ' A' ' 21' ' ' ILE . 63.8 tp -57.11 -57.92 10.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 77' ' ' LEU . . . -38.09 -30.82 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 77' ' ' LEU . 59.8 m-20 -70.09 -46.38 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.363 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 84' ' ' VAL . 27.4 tp -50.79 -32.4 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 82' ' ' LYS . 36.3 tt0 -65.2 -55.59 17.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 81' ' ' GLU . 27.6 mtmt -36.03 -63.49 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.1 p-10 -55.57 -60.92 2.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 80' ' ' LEU . 74.5 t -38.95 -51.47 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mmt -63.59 -36.16 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 58' ' ' LYS . 14.3 tp -67.99 -59.99 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 61' ' ' ASP . 1.4 tt -37.33 -44.0 0.58 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . 0.473 ' N ' HD23 ' A' ' 87' ' ' LEU . 60.0 m -71.87 -43.9 64.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.412 ' O ' ' N ' ' A' ' 92' ' ' GLN . 6.4 t-80 -58.2 -56.21 24.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 89' ' ' HIS . 91.1 m-20 -37.2 -41.74 0.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.46 -47.36 82.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 89' ' ' HIS . 76.8 mt-30 -57.98 -13.93 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 42.4 m -96.86 -33.93 11.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.166 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.624 ' CD1' HD11 ' A' ' 55' ' ' LEU . 4.3 t80 -93.16 -57.12 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.446 ' OD1' HG21 ' A' ' 101' ' ' ILE . 13.3 m-80 -64.06 135.96 56.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.831 HD13 ' N ' ' A' ' 97' ' ' GLU . 0.5 OUTLIER -58.17 150.61 21.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.831 ' N ' HD13 ' A' ' 96' ' ' LEU . 18.8 mt-10 -66.96 175.69 2.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 36.77 28.0 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.458 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 2.0 t -100.36 175.57 5.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.8 tp60 -66.09 -49.76 66.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' O ' ' N ' ' A' ' 104' ' ' ASP . 38.0 mt -67.76 -62.22 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.502 ' O ' HD12 ' A' ' 106' ' ' ILE . 3.3 t80 -39.22 -44.61 1.25 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.469 ' HA ' HD13 ' A' ' 106' ' ' ILE . 16.5 mt-10 -68.56 -37.13 79.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.542 ' OD1' ' CE1' ' A' ' 40' ' ' PHE . 0.1 OUTLIER -56.85 -40.33 75.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 13.7 p -59.07 -37.97 78.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.814 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.502 HD12 ' O ' ' A' ' 102' ' ' TYR . 2.2 mp -61.93 -24.48 34.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.086 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 108' ' ' LEU . 94.4 t -83.51 -61.97 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.147 179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 107' ' ' VAL . 41.6 mt -35.44 -43.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -60.78 -52.55 64.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -52.22 -30.58 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.2 t -80.54 -32.57 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.659 ' CD1' HG11 ' A' ' 84' ' ' VAL . 40.7 t80 -68.47 -58.9 3.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -48.16 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.9 t -68.2 -38.65 82.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.59 -45.28 47.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -41.26 -57.82 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -77.85 -59.6 2.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.928 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.5 t -55.78 114.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -118.94 146.27 18.34 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -9.48 26.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.239 . . . . 0.0 112.364 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.4 p -81.58 81.35 7.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 m -39.53 -46.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.847 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -78.26 93.39 4.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.874 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -103.68 83.81 2.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.99 143.88 15.88 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -95.8 142.74 27.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.917 0.389 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.4 p -141.04 138.21 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.56 47.69 1.0 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.428 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.2 m -133.82 129.5 20.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.719 0.771 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 10' ' ' ASN . 53.2 Cg_endo -69.77 125.93 12.71 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.682 2.255 . . . . 0.0 112.332 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.428 ' C ' ' O ' ' A' ' 9' ' ' PRO . 3.5 m-20 -35.59 146.44 0.19 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.602 0.715 . . . . 0.0 110.879 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 165.9 29.49 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.343 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -46.12 1.34 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ptpt -56.73 -21.38 27.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.4 tp -93.14 -55.11 3.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.9 m -52.04 -49.88 62.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -50.11 -60.97 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.533 ' HG2' HD23 ' A' ' 77' ' ' LEU . 28.1 tt0 -40.63 -46.62 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.1 mtt -61.04 -49.03 79.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 20' ' ' ALA . 25.9 m-20 -62.81 -59.5 4.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 19' ' ' ASN . . . -34.33 -53.97 0.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.7 mt -56.66 -64.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.597 ' CG2' HD12 ' A' ' 26' ' ' ILE . 19.2 mm -52.09 -67.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -36.46 -32.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.874 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.443 ' N ' ' O ' ' A' ' 22' ' ' ILE . 94.1 m -81.4 -60.76 2.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.2 t -50.17 -47.14 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.597 HD12 ' CG2' ' A' ' 22' ' ' ILE . 74.4 mt -66.74 -46.13 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -90.22 36.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.539 ' CD1' ' C ' ' A' ' 28' ' ' TYR . 1.3 t80 -103.39 133.48 48.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -111.15 139.02 46.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -69.7 -175.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -70.91 -26.04 63.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 t -72.48 -60.8 2.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 138.21 48.21 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 17.1 mmt180 -148.14 164.5 33.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.853 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -85.72 143.55 28.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mp -109.68 -11.54 14.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 51.8 p -92.4 -31.4 15.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.425 ' HA ' ' CG1' ' A' ' 41' ' ' ILE . 23.9 mt-10 -42.89 -51.63 5.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' CD1' ' A' ' 40' ' ' PHE . 3.4 m -54.88 -30.58 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.602 ' HE2' ' HB2' ' A' ' 91' ' ' ALA . 80.9 m-85 -91.48 -22.72 20.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.642 HD13 ' HB2' ' A' ' 62' ' ' PHE . 26.7 mm -49.59 -49.6 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -127.5 109.29 11.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.673 ' H ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -102.17 164.43 15.76 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.552 0.691 . . . . 0.0 110.944 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.432 ' HD2' ' HB2' ' A' ' 43' ' ' LEU . 53.5 Cg_endo -69.77 113.47 3.38 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.327 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.5 m -62.45 -177.66 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.1 mtm180 -61.34 -47.04 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -53.42 -54.84 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.18 -54.14 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.43 ' CD1' ' HG2' ' A' ' 51' ' ' GLU . 23.5 tp -132.84 85.88 45.29 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -33.0 17.56 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.662 2.241 . . . . 0.0 112.386 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.471 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 11.0 pt-20 -62.81 -28.82 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.578 ' CE1' HG13 ' A' ' 56' ' ' ILE . 87.3 t80 -61.82 -33.05 73.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.949 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.457 ' CD2' ' HG3' ' A' ' 59' ' ' PRO . 9.0 m-85 -83.42 -14.41 52.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.909 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' CG ' ' HA ' ' A' ' 51' ' ' GLU . 69.8 mm-40 -72.6 -45.79 57.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.681 HD11 ' CD2' ' A' ' 94' ' ' PHE . 0.1 OUTLIER -88.1 -42.39 12.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG23 ' OD1' ' A' ' 90' ' ' ASN . 48.9 mm -69.9 112.32 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -49.66 -67.48 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.7 mtpt -131.09 93.49 30.35 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.457 ' HG3' ' CD2' ' A' ' 53' ' ' TYR . 53.4 Cg_endo -69.83 110.07 2.48 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.601 HG22 ' N ' ' A' ' 61' ' ' ASP . 7.6 p -118.84 162.95 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' N ' HG22 ' A' ' 60' ' ' VAL . 4.8 p-10 -129.53 -177.49 4.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.653 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.0 m-85 -81.6 -27.21 34.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -70.61 -26.1 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -83.92 -51.64 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 62' ' ' PHE . 28.1 mt -43.07 -36.2 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? -80.17 -35.68 36.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -50.24 -33.53 19.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 34.3 mtp85 -78.26 -36.21 47.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.5 mt -60.67 -46.99 94.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.132 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -76.0 -24.04 55.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -93.92 18.04 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 41.36 34.61 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -77.38 -44.11 30.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -59.38 146.66 39.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -102.26 -23.65 13.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 p -167.2 175.01 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 77' ' ' LEU . 1.6 tm? -66.73 -42.47 86.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -41.63 -44.82 4.37 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' LEU . 8.1 t0 -61.69 -61.46 2.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ASP . 33.3 tp -36.28 -33.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 79' ' ' ASP . 15.9 tt0 -65.51 -57.77 7.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -40.72 -52.44 2.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -61.16 -70.44 0.18 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.589 HG11 ' CD1' ' A' ' 112' ' ' PHE . 80.1 t -38.29 -57.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.5 mmt -56.19 -39.28 72.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 87' ' ' LEU . 12.7 tp -61.63 -60.45 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 61' ' ' ASP . 5.4 tt -37.03 -42.4 0.41 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' CYS . . . . . . . . . . . . . 51.2 m -77.51 -41.92 37.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -55.33 -34.54 64.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.61 ' OD1' HG23 ' A' ' 56' ' ' ILE . 74.0 m-20 -64.29 -43.21 95.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.602 ' HB2' ' HE2' ' A' ' 40' ' ' PHE . . . -53.66 -57.68 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -50.27 -22.07 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.5 m -81.05 -56.44 4.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.183 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.681 ' CD2' HD11 ' A' ' 55' ' ' LEU . 4.2 t80 -74.85 -54.4 7.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.543 ' OD1' HD12 ' A' ' 101' ' ' ILE . 27.8 m-80 -65.05 157.68 27.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 79.9 mt -84.18 165.14 18.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 99' ' ' SER . 17.4 mt-10 -65.77 161.84 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 97' ' ' GLU . . . 34.55 31.66 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.503 ' N ' ' O ' ' A' ' 97' ' ' GLU . 42.0 t -93.6 159.4 15.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.336 . . . . 0.0 110.878 -179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -41.5 -59.18 1.67 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.543 HD12 ' OD1' ' A' ' 95' ' ' ASN . 81.1 mt -66.61 -27.91 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.51 ' CE2' HD11 ' A' ' 106' ' ' ILE . 21.6 t80 -61.0 -67.26 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.707 ' O ' HG23 ' A' ' 107' ' ' VAL . 24.4 mt-10 -42.65 -34.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -66.19 -45.0 82.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 28.9 p -56.19 -41.33 75.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.51 HD11 ' CE2' ' A' ' 102' ' ' TYR . 3.4 mp -69.45 -33.67 58.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 103' ' ' GLU . 91.3 t -71.27 -62.0 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 107' ' ' VAL . 11.2 mt -36.72 -51.81 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -49.07 -53.86 18.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 13.1 t -52.42 -32.27 38.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' A' ' 28' ' ' TYR . 12.4 t -75.48 -32.35 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.131 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.589 ' CD1' HG11 ' A' ' 84' ' ' VAL . 60.5 t80 -65.24 -49.3 70.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 27.7 mttm -67.1 -45.32 77.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.0 t -58.89 -31.89 69.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -79.93 -39.07 31.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.064 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -60.69 -54.15 48.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 118' ' ' SER . 5.1 pt20 -57.21 -46.29 83.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.448 ' N ' ' HG3' ' A' ' 117' ' ' GLN . 36.4 t -38.46 108.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 139.38 -172.09 23.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 163.59 37.74 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.667 2.245 . . . . 0.0 112.318 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.3 t -38.82 147.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.5 p -131.66 45.07 2.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.865 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.457 179.985 . . . . . . . . 0 0 . 1 stop_ save_