data_2dmj_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 2dmj _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 ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -101.77 155.88 17.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -154.07 108.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.53 131.14 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -162.93 148.39 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.7 m-85 -59.5 113.51 2.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -35.91 143.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -95.11 -42.65 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 t -138.92 171.33 14.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.29 46.83 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -111.87 -42.78 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.49 129.89 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.6 p -98.84 163.92 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 t -113.31 139.22 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 16.5 mmmt -102.35 32.52 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG2' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -132.2 -43.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.38 -4.69 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 m 56.88 52.45 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -128.82 173.99 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.0 p -98.98 104.49 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -49.55 127.07 17.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.04 61.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -77.69 141.73 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 67.52 39.55 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.8 p -122.59 146.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 tp -72.58 110.74 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -130.43 157.34 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.509 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 39.3 mtp -113.74 168.13 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.8 148.48 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 69' ' ' HIS . 48.9 mt -136.9 133.14 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mmt -91.79 109.44 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 57' ' ' HIS . 12.4 m -125.3 158.15 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.68 112.99 25.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.842 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.45 139.55 35.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 114.03 3.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.549 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.7 m170 -100.61 113.39 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -86.57 132.2 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.489 ' CD2' HD13 ' A' ' 44' ' ' ILE . 62.0 m-85 -132.72 131.52 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -49.56 157.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CE2' ' HE2' ' A' ' 91' ' ' LYS . 29.0 t80 -46.0 -36.72 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p -91.47 -51.99 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 64.5 m -42.67 -47.31 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 25.4 t80 -51.56 -35.57 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.483 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.0 m95 -84.66 -33.43 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . 29.8 mttt -53.76 -52.3 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 69' ' ' HIS . 25.3 m -51.08 -35.55 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 42.89 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.557 ' CD2' HD11 ' A' ' 44' ' ' ILE . 18.1 m-70 -104.17 83.45 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.5 mt -139.16 122.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -74.46 -64.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -116.02 83.3 12.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.9 15.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.526 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.1 t70 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 -39.43 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.31 -44.25 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.3 t -97.12 122.17 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.41 164.91 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -39.04 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 27.0 t80 -34.81 -58.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -55.65 -38.93 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -64.58 -42.03 95.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.39 159.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -74.77 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -52.47 -54.74 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -46.5 -62.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.42 -54.39 17.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -44.08 -51.12 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -63.4 -43.36 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.485 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 32.8 tttt -55.65 -58.42 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.4 -39.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -60.5 -53.43 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -52.33 -42.26 63.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.415 HG23 ' NE1' ' A' ' 65' ' ' TRP . 20.9 m -69.09 -58.44 4.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.29 -47.39 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.57 -47.08 85.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.78 0.324 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -104.82 153.6 21.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -149.19 107.05 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -106.41 123.21 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -158.42 173.06 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -78.87 113.75 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.68 132.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -76.84 -42.56 39.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -152.64 161.09 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.67 48.46 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -100.7 -47.67 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 152.22 23.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.6 m -117.05 173.14 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.0 t -105.62 138.11 42.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 50.7 mmtt -99.32 30.59 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -131.61 -53.29 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.3 p -110.89 15.11 21.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t 42.25 55.07 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 8.8 mm-40 -123.34 167.57 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.28 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mt -50.75 126.98 25.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.666 0.746 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.57 65.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.93 141.51 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 68.96 42.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 p -128.53 159.4 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 84' ' ' LEU . 37.4 tp -82.11 119.58 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -138.47 172.98 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.0 mtp -129.13 167.97 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . . . -133.94 153.33 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' A' ' 59' ' ' TYR . 66.3 mt -140.68 127.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.35 108.12 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' A' ' 57' ' ' HIS . 16.9 m -126.66 170.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 6.6 tm0? -101.56 122.91 44.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.9 142.16 29.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 112.18 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 46' ' ' VAL . 12.1 m170 -94.79 110.24 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CZ3' ' HB3' ' A' ' 43' ' ' ALA . 95.6 m95 -86.27 128.64 34.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.6 m-85 -128.24 150.06 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.8 m80 -69.02 139.94 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 46.5 t80 -34.02 -33.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.2 m -92.97 -54.99 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.2 m -45.97 -50.23 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 44' ' ' ILE . 8.5 t80 -44.63 -32.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 63.7 m95 -85.67 -34.97 21.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -52.71 -52.01 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -48.53 -37.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 45.52 0.99 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -110.04 87.07 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.0 p -71.84 161.18 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.7 mt -147.08 114.91 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -60.08 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -125.19 89.19 53.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.56 34.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.525 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.4 p-10 -61.58 -41.73 97.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.02 -39.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.11 -44.7 94.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -95.43 127.25 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.27 152.21 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 90.65 -37.83 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.525 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 14.1 t80 -36.69 -48.85 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 t -56.69 -43.07 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 mt-10 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 40' ' ' LEU . 97.4 mt -44.0 153.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -67.66 157.63 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -45.1 -59.53 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -49.89 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -51.28 -54.25 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -43.9 -48.7 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.96 -43.32 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.6 ttmt -56.03 -52.17 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.56 -47.18 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -59.08 -51.33 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -56.36 -49.1 75.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.464 HG22 ' NE1' ' A' ' 65' ' ' TRP . 83.9 m -61.52 -51.05 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.69 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -54.39 -45.28 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.32 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -108.08 153.6 22.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -153.95 107.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 19' ' ' GLU . 11.0 p -100.12 142.77 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.484 ' N ' HG23 ' A' ' 18' ' ' VAL . 23.2 pt-20 -171.36 161.0 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ALA . 35.3 m-85 -71.63 109.97 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -35.12 114.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 13.5 tptp -63.43 -37.58 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -152.68 154.71 35.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.09 62.05 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -131.61 39.24 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.11 134.9 36.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -103.48 168.5 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.9 t -107.89 139.37 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -104.64 35.16 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HD3' ' CG1' ' A' ' 67' ' ' VAL . 10.2 tptp -133.66 -48.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -109.46 -7.5 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t 65.62 55.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.24 176.69 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -99.94 129.17 45.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.38 127.46 82.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.743 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.6 62.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 51.1 tttp -77.74 152.34 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.52 43.15 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 p -123.37 152.3 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 18' ' ' VAL . 31.7 tp -77.02 112.74 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 31.5 ptt180 -133.92 171.34 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.425 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -120.95 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -141.62 150.38 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.566 HD11 ' CD1' ' A' ' 59' ' ' TYR . 38.4 mt -137.08 135.51 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.425 ' N ' HG21 ' A' ' 44' ' ' ILE . 7.3 mmt -93.2 94.75 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG2' ' CE1' ' A' ' 57' ' ' HIS . 27.4 m -115.56 169.04 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.68 150.57 23.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.818 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.16 137.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.423 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 20.8 m170 -105.9 115.34 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 68.5 m95 -93.74 134.12 36.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CD1' HD11 ' A' ' 44' ' ' ILE . 87.2 m-85 -127.9 155.27 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.4 m80 -68.19 140.45 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 28.4 t80 -33.69 -37.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' HIS . 80.1 p -87.97 -55.83 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 93.3 m -45.05 -52.54 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD2' ' CB ' ' A' ' 42' ' ' MET . 41.0 t80 -43.86 -35.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 41.3 m95 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -53.97 -51.69 63.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.414 ' CG1' ' HD3' ' A' ' 30' ' ' LYS . 11.6 m -49.66 -43.89 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.69 48.04 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.37 96.18 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 m -81.7 139.38 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.1 mt -133.88 100.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -47.59 -62.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -126.41 94.64 40.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.567 0.699 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.02 34.13 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.455 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 7.4 p-10 -57.57 -37.94 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.02 -45.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.31 130.28 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.31 165.36 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.6 -37.46 2.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.455 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 14.8 t80 -38.28 -54.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.9 t -55.09 -43.01 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.13 -41.95 97.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.44 168.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -85.95 162.94 18.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -45.5 -53.03 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -51.19 -61.63 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -56.76 8.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -38.97 -43.78 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -70.56 -56.16 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -40.5 -51.8 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.86 -35.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -59.83 -66.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -49.38 -52.78 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.3 m -53.71 -57.16 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.94 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -43.06 -45.47 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -115.6 163.61 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -159.13 113.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -110.99 134.08 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.5 170.54 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.3 m-85 -75.48 104.79 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.84 122.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -48.71 68.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 t -137.44 158.8 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.62 43.57 3.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -100.35 -43.88 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.36 138.11 55.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 p -107.11 162.13 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -92.52 170.99 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 55.1 mmtt -120.11 -36.33 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -68.98 -34.47 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -118.59 -27.82 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t 72.8 49.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -118.82 176.71 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.7 p -94.06 103.41 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.8 125.59 47.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.32 47.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -65.21 148.25 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 43.28 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 p -127.74 148.45 50.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD1' HD23 ' A' ' 84' ' ' LEU . 14.7 tp -73.46 106.97 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.504 ' HD2' ' CE3' ' A' ' 58' ' ' TRP . 16.5 ptt180 -122.89 161.36 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.503 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -115.25 160.04 20.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.51 131.96 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 69' ' ' HIS . 54.4 mt -119.93 138.16 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.7 mmt -95.86 101.06 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.551 HG21 ' CE1' ' A' ' 57' ' ' HIS . 10.8 m -111.6 165.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -94.31 106.41 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.888 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -122.19 138.7 29.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.551 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 m170 -95.14 114.96 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE3' ' HD2' ' A' ' 41' ' ' ARG . 92.9 m95 -86.79 133.35 33.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 70.9 m-85 -133.59 130.47 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -50.18 160.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 27.9 t80 -50.17 -35.79 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.1 p -93.0 -44.7 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 34.6 m -48.55 -51.37 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 20.3 t80 -47.34 -34.07 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 50.8 m95 -87.68 -33.65 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -53.35 -49.39 67.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' A' ' 69' ' ' HIS . 18.8 m -51.24 -34.62 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.9 43.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.56 ' CD2' HD11 ' A' ' 44' ' ' ILE . 16.9 m-70 -99.49 119.96 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.0 p -99.61 153.37 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.6 mt -146.48 130.84 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -79.47 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -128.73 90.92 44.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -16.35 37.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.1 p-10 -56.06 -37.17 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.434 HG21 ' N ' ' A' ' 77' ' ' GLU . 28.9 m -111.17 -39.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' HG21 ' A' ' 76' ' ' VAL . 36.0 mt-10 -65.38 -56.87 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.6 t -82.06 106.18 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.26 160.83 4.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 86.68 -39.33 3.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 17.3 t80 -34.97 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.414 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 2.0 t -57.4 -41.5 80.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.7 mt-10 -61.95 -42.27 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' A' ' 40' ' ' LEU . 24.5 mt -54.81 150.55 9.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -67.16 159.79 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -44.95 -51.39 9.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.59 -55.65 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.1 m-20 -58.3 -58.66 7.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 82' ' ' SER . 76.9 mt-30 -38.36 -46.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.1 -49.81 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -45.88 -60.21 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' LYS . 87.4 t -49.09 -60.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' VAL . 24.2 mtpp -36.27 -62.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -49.18 -52.14 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.466 HG21 ' NE1' ' A' ' 65' ' ' TRP . 31.6 m -53.97 -57.16 12.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.98 -46.69 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.76 -45.84 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -113.87 153.34 29.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -149.84 107.52 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 p -99.55 137.36 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -169.95 158.93 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.6 m-85 -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.33 141.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -87.0 -43.31 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -145.45 146.94 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.8 67.17 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 ppt_? -121.07 -40.42 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 110.82 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . . . -65.71 122.88 18.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -83.25 171.38 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.37 135.21 42.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.7 mmtt -91.51 28.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.418 ' CD ' HG12 ' A' ' 67' ' ' VAL . 10.1 tptp -133.34 -54.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 28.7 p -109.36 15.31 23.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m 39.98 54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -120.34 174.64 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.7 p -100.28 99.73 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 58' ' ' TRP . 96.9 mt -45.75 124.61 6.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.19 64.33 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 39.4 tttm -67.93 165.6 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 8.2 p-10 38.97 48.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 p -128.46 154.5 46.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.56 113.09 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 19.2 ptt180 -133.29 173.35 11.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.8 mtp -125.58 160.9 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.78 116.72 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.054 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.433 HD12 ' CD2' ' A' ' 64' ' ' PHE . 86.6 mt -104.91 131.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 68.2 mmm -90.32 115.64 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.4 177.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -103.82 131.05 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.869 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 57' ' ' HIS . 26.8 m -129.37 139.79 36.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CD2' HG22 ' A' ' 55' ' ' VAL . 19.2 m170 -106.74 114.73 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 35' ' ' ILE . 84.7 m95 -87.7 129.35 35.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 72.9 m-85 -128.36 149.64 50.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.5 m80 -70.85 140.28 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 23.7 t80 -36.22 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -93.09 -54.75 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 66.4 m -44.89 -48.36 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 44' ' ' ILE . 11.6 t80 -47.3 -32.87 5.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 59.4 m95 -87.05 -31.35 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -55.34 -51.96 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.418 HG12 ' CD ' ' A' ' 30' ' ' LYS . 13.9 m -53.54 -38.09 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 47.92 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.404 ' ND1' HD11 ' A' ' 44' ' ' ILE . 4.4 m-70 -102.25 84.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 p -65.44 156.43 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.1 mt -146.42 120.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -62.44 -70.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -122.93 91.16 49.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.497 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 4.7 p-10 -72.91 -33.74 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -115.28 -28.31 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.67 -49.88 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.94 105.71 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -55.41 160.39 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.93 -37.97 2.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 4.5 t80 -35.61 -52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.0 t -56.0 -40.56 73.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' GLY . 90.8 mt-10 -61.93 -42.79 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.08 157.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -74.69 161.9 29.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -41.59 -55.84 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -52.85 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.73 -46.01 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -52.15 -55.06 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.98 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -50.23 -42.78 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.62 -41.02 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.17 -42.39 85.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -72.18 -48.0 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -56.88 -50.1 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.56 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -54.88 -47.31 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -109.41 159.36 17.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -159.13 113.7 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.418 ' CG2' HD13 ' A' ' 40' ' ' LEU . 11.9 p -109.27 135.41 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.81 153.96 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.456 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 19.9 m-85 -62.37 114.82 3.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.28 128.97 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -79.34 -43.45 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -139.82 157.64 45.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.02 44.73 3.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -101.39 -45.58 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.43 145.37 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -112.17 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.3 t -106.85 142.7 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 65.0 mmtt -104.25 34.4 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -135.0 -54.36 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.52 -17.46 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t 72.29 46.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.07 173.98 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.7 p -90.94 127.04 36.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.49 127.8 89.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 150.22 67.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.301 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -74.48 152.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 t70 55.13 42.94 30.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 p -126.07 144.98 50.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 18' ' ' VAL . 26.0 tp -69.96 117.26 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.482 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 31.8 ptt180 -132.76 164.13 27.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 36.7 mtp -118.27 156.79 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.42 129.18 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.575 HD11 ' CE2' ' A' ' 59' ' ' TYR . 51.1 mt -114.51 132.59 63.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.68 98.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 17.0 m -106.43 176.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -111.05 111.15 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.854 -179.807 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 49.8 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.85 139.21 17.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.75 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.6 3.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 10.1 m170 -103.03 112.5 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 81.3 m95 -86.7 132.09 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' A' ' 44' ' ' ILE . 80.0 m-85 -129.69 153.91 47.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -69.57 143.56 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.7 t80 -39.62 -31.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -93.92 -53.9 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 80.7 m -46.1 -48.68 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 21.3 t80 -46.92 -32.49 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.8 m95 -86.58 -32.39 20.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -54.13 -52.21 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -51.77 -41.03 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.52 41.86 0.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -106.76 97.13 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 t -87.85 158.42 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.6 mt -140.74 112.89 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.38 -55.84 29.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -131.37 93.27 29.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -10.72 29.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.282 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 3.4 t0 -69.85 -39.03 76.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.11 -37.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.04 -46.65 77.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.0 120.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 35.5 t0 -72.84 131.96 42.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 119.07 -38.38 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 78.8 t80 -35.9 -58.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.5 t -50.32 -44.79 54.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -61.68 -41.7 97.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.456 HD23 ' CZ ' ' A' ' 20' ' ' TYR . 89.9 mt -50.66 166.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -87.94 162.64 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -45.96 -57.51 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -43.22 -62.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.43 -57.58 10.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -38.62 -44.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -69.99 -45.75 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.429 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 16.5 ttmt -54.8 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.24 -42.53 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -49.93 -54.13 21.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -63.86 -58.61 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 m -45.43 -43.73 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.5 67.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.52 -45.56 84.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -104.57 158.31 16.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -146.73 107.4 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 HG12 ' CG1' ' A' ' 78' ' ' VAL . 5.3 p -103.08 123.62 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.76 169.37 24.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -72.62 137.56 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 146.44 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -96.78 -42.19 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -144.8 159.38 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 47.77 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' ALA . 77.3 mtp85 -113.5 -54.89 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -37.27 124.58 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -97.69 155.63 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.97 136.55 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 14.9 mmtp -96.85 28.72 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.8 -53.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 30.9 p -110.45 16.37 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 p 41.05 54.91 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 19.3 mt-10 -124.41 177.71 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -99.76 126.99 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.0 mt -75.32 126.95 87.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.25 47.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.41 149.0 49.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 57.16 43.86 23.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -128.14 145.54 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.5 114.16 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -132.63 164.26 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.1 mtp -117.52 162.47 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . . . -135.06 155.84 50.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 69' ' ' HIS . 53.5 mt -137.47 112.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.437 ' CE ' ' HA ' ' A' ' 45' ' ' MET . 3.1 mmt -69.18 105.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.522 HG23 ' CE1' ' A' ' 57' ' ' HIS . 27.1 m -129.75 176.28 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -113.86 134.69 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.83 134.76 23.65 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.665 0.745 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.32 7.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.522 ' CE1' HG23 ' A' ' 46' ' ' VAL . 21.0 m170 -103.49 112.05 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB3' ' A' ' 43' ' ' ALA . 74.8 m95 -86.32 145.56 26.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.9 m-85 -145.17 130.94 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' SER . 20.2 m80 -49.37 136.52 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.494 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 33.4 t80 -35.97 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' HIS . 23.1 p -93.06 -55.33 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.2 m -46.2 -40.43 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' A' ' 64' ' ' PHE . 4.8 t80 -53.64 -34.17 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.48 ' NE1' HG23 ' A' ' 95' ' ' THR . 71.9 m95 -88.31 16.46 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -105.02 -47.49 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.26 -27.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.14 41.18 3.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.418 ' CE1' HD13 ' A' ' 44' ' ' ILE . 5.7 m170 -96.09 84.99 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.2 t -56.9 148.32 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 70' ' ' SER . 89.4 mt -149.39 118.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -65.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -131.06 98.47 18.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.22 35.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.518 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.5 t70 -56.24 -40.68 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.88 -32.27 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.33 -49.34 27.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 18' ' ' VAL . 58.9 t -94.68 129.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.95 167.1 22.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.796 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.84 -34.99 2.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 28.5 t80 -38.86 -44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -61.88 -37.56 85.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.7 mt-10 -66.61 -41.42 88.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.2 mt -51.17 147.88 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.79 162.39 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -48.29 -54.47 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.45 -60.17 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.13 -48.58 53.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -47.75 -48.22 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.97 -43.76 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.494 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 22.5 ttmt -50.79 -54.77 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.0 -43.15 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -48.02 -55.9 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -59.52 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.48 HG23 ' NE1' ' A' ' 65' ' ' TRP . 38.1 m -40.12 -52.87 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.45 -47.42 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.96 -47.05 88.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -107.94 167.02 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -154.66 110.71 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -107.9 141.32 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.8 163.29 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.6 m-85 -75.18 106.96 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.5 113.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -40.95 97.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -147.43 143.89 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.47 70.23 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -119.93 -54.77 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.97 157.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -121.93 145.57 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -80.25 140.09 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HZ3' ' CD2' ' A' ' 57' ' ' HIS . 2.4 mmmm -100.91 29.31 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -131.9 -53.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.44 -2.9 32.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m 56.0 50.69 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -127.64 171.77 11.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 m -95.59 107.58 19.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.8 mt -52.37 121.56 21.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.34 68.17 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.82 148.01 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 63.13 41.81 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 61' ' ' PHE . 20.4 tp -78.83 107.87 11.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -130.84 156.17 45.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.6 mtp -114.68 162.61 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB2' ' CE3' ' A' ' 58' ' ' TRP . . . -129.43 148.37 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.49 HD12 ' CE2' ' A' ' 59' ' ' TYR . 48.8 mt -130.22 146.27 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 mmt -101.44 113.81 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' CE1' ' A' ' 57' ' ' HIS . 14.9 m -131.7 173.29 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -88.42 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.819 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.2 mttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.33 140.0 27.55 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' HG23 ' A' ' 46' ' ' VAL . 22.9 m170 -100.02 111.99 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 43' ' ' ALA . 86.5 m95 -86.38 140.11 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 44' ' ' ILE . 68.0 m-85 -143.81 137.62 28.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -58.46 149.93 23.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.4 t80 -43.17 -34.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -90.43 -51.13 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 69.8 m -47.65 -47.74 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.481 ' CZ ' HD13 ' A' ' 71' ' ' ILE . 26.4 t80 -48.8 -31.1 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.3 m95 -88.46 -28.27 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -57.0 -50.81 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 69' ' ' HIS . 13.5 m -55.62 -39.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.07 47.05 0.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.468 ' CD2' HG23 ' A' ' 67' ' ' VAL . 4.5 m-70 -103.56 83.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -64.0 149.69 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.486 HD11 ' CH2' ' A' ' 65' ' ' TRP . 32.9 mt -138.17 117.87 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -65.42 -65.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -125.48 90.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.04 37.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.323 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.52 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.3 p-10 -68.56 -27.09 65.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 m -116.08 -29.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -83.07 -39.03 21.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.62 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 142.69 39.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.17 -38.71 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 16.3 t80 -38.31 -55.34 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 p -56.23 -37.57 69.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 80' ' ' GLY . 25.7 mt-10 -64.21 -39.78 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.0 mt -46.68 169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' TRP . 18.4 mtm105 -86.57 151.38 23.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ARG . 76.9 t90 -34.61 -59.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.29 -65.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.46 -56.31 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -39.23 -45.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.16 -43.16 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.9 ttmt -54.1 -46.65 72.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.5 t -65.59 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -58.15 -67.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -52.93 -59.6 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.5 m -44.86 -54.3 6.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.29 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.07 -37.65 69.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -110.98 165.15 12.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -157.92 107.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG2' HD11 ' A' ' 40' ' ' LEU . 7.8 p -100.54 136.43 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -170.13 165.2 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.2 m-85 -73.11 108.56 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.44 111.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -48.14 79.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.4 p -142.78 161.24 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.13 43.03 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -115.03 41.17 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.45 123.37 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.5 p -98.63 125.41 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.16 135.28 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 48.8 mmtt -98.72 32.04 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -131.6 -50.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.75 -6.07 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 t 60.47 48.95 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -126.1 172.32 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.2 p -93.77 116.14 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.9 mt -68.14 127.94 93.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.05 47.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 23.4 ttpt -86.79 150.12 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 38.5 t70 64.32 42.04 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 p -128.25 158.65 37.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 61' ' ' PHE . 39.8 tp -81.11 115.4 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -135.94 165.17 26.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.453 ' HG3' ' CD2' ' A' ' 64' ' ' PHE . 1.7 mmt -116.93 169.69 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.538 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . . . -136.64 152.83 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 59' ' ' TYR . 77.3 mt -135.54 135.53 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mmt -93.33 103.02 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.6 170.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -96.52 126.86 42.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.7 mttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.58 138.34 31.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 123.31 9.98 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -105.67 113.0 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CZ3' ' HB3' ' A' ' 43' ' ' ALA . 81.2 m95 -86.49 131.35 34.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.549 ' CD2' HD11 ' A' ' 44' ' ' ILE . 60.1 m-85 -132.2 133.68 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -49.51 148.23 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CE1' HD22 ' A' ' 40' ' ' LEU . 33.7 t80 -42.54 -33.39 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.0 p -93.01 -54.14 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 66' ' ' LYS . 97.3 m -45.72 -51.93 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.453 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 27.1 t80 -41.7 -34.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.1 m95 -85.31 -33.7 22.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 63' ' ' CYS . 20.1 mttp -54.19 -51.42 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -45.84 -36.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.91 40.19 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -117.04 86.11 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.322 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -83.87 150.74 25.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 21.7 mt -134.35 120.89 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.76 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.483 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -125.65 86.64 57.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.5 33.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.557 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.9 p-10 -62.56 -38.8 91.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.475 HG21 ' N ' ' A' ' 77' ' ' GLU . 30.5 m -106.14 -43.53 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.475 ' N ' HG21 ' A' ' 76' ' ' VAL . 22.3 mt-10 -65.2 -52.44 54.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.61 116.78 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -68.51 164.83 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -40.47 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 2.5 t80 -39.59 -43.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -58.63 -42.19 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' GLY . 35.9 mt-10 -61.19 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.5 mt -47.05 148.34 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -63.19 179.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.495 ' CH2' ' HG3' ' A' ' 90' ' ' GLN . 64.5 t90 -64.03 -52.0 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -47.89 -60.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.9 m-20 -50.47 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' ASP . 41.7 mt-30 -35.98 -54.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.495 ' HG3' ' CH2' ' A' ' 86' ' ' TRP . 7.6 mm100 -59.63 -42.11 91.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.488 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 18.0 ttmm -58.51 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.95 -43.19 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -48.03 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.54 -52.72 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.3 m -45.63 -50.71 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 71' ' ' ILE . . . -50.01 -50.74 46.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.27 75.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -103.03 158.62 16.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -150.1 107.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.64 138.26 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -175.25 171.98 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.6 m-85 -74.53 102.59 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.86 127.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -46.18 78.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -148.99 177.28 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.52 44.37 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -110.19 29.45 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.22 139.9 53.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.4 p -108.72 147.92 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -91.48 132.31 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 1.4 mmmp? -98.07 33.27 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -132.58 -51.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.4 p -113.06 11.92 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t 47.0 55.03 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 18.9 mt-10 -129.79 172.9 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.3 m -97.49 131.25 44.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.58 128.3 80.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.94 63.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 21.2 ttpt -73.38 150.45 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.2 m-20 57.03 44.73 22.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.9 p -129.32 147.96 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.2 tp -68.97 106.47 2.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' CZ ' ' HB1' ' A' ' 21' ' ' ALA . 20.9 ptt180 -128.3 171.91 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.4 mtp -127.22 166.14 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' CE3' ' A' ' 58' ' ' TRP . . . -138.64 150.21 46.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 69' ' ' HIS . 70.6 mt -128.83 138.34 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.46 ' N ' HG22 ' A' ' 44' ' ' ILE . 4.0 mmt -100.77 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.61 171.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -93.6 137.86 32.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.75 . . . . 0.0 110.884 -179.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.411 HG22 ' NE2' ' A' ' 57' ' ' HIS . 29.6 m -135.73 135.63 22.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.26 7.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.379 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.411 ' NE2' HG22 ' A' ' 55' ' ' VAL . 20.4 m170 -107.08 109.14 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 43' ' ' ALA . 89.5 m95 -86.12 131.44 34.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.515 ' CD2' HD11 ' A' ' 44' ' ' ILE . 66.0 m-85 -131.75 141.44 49.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' PHE . 23.4 m80 -58.71 140.23 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.521 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 39.0 t80 -35.56 -35.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.9 m -89.62 -56.56 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' LYS . 66.5 m -43.84 -53.78 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 4.8 t80 -38.46 -37.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.517 ' CE2' HG22 ' A' ' 95' ' ' THR . 72.2 m95 -83.59 -34.25 25.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 52.6 mmtt -53.77 -48.38 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 69' ' ' HIS . 17.2 m -54.52 -31.86 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.18 39.62 1.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CD2' HG21 ' A' ' 67' ' ' VAL . 10.1 m-70 -99.42 89.45 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -75.71 133.04 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 64' ' ' PHE . 39.9 mt -117.48 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -52.24 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.09 86.71 53.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.712 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.42 ' CD ' HG23 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.74 -9.5 26.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 5.4 p-10 -70.27 -38.32 75.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 77' ' ' GLU . 21.5 m -112.2 -30.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.426 ' N ' HG22 ' A' ' 76' ' ' VAL . 47.2 mt-10 -71.56 -45.32 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.1 t -93.29 107.08 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -55.9 164.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.97 -36.55 2.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.514 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 2.8 t80 -34.29 -58.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.5 p -56.68 -38.44 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.0 mt-10 -65.07 -42.01 94.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -51.23 160.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -80.64 155.52 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -43.36 -52.79 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -48.02 -51.44 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -55.16 29.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -42.34 -50.53 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -61.97 -43.77 98.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.521 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 14.2 ttmm -54.67 -53.2 57.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.2 t -55.85 -57.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -39.89 -60.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -50.67 -39.66 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.517 HG22 ' CE2' ' A' ' 65' ' ' TRP . 32.2 m -69.45 -35.75 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.19 -48.72 64.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 6.9 pt-20 -57.31 -36.66 71.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.496 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -115.07 169.04 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -159.53 111.6 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 79' ' ' ASP . 12.9 p -104.07 141.73 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.09 153.79 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.9 m-85 -71.48 104.18 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.53 141.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -88.69 -38.57 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.448 ' HB3' ' CD ' ' A' ' 25' ' ' ARG . 15.9 m -131.09 171.37 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.35 48.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 3.3 mpt_? -108.03 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -33.62 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -115.75 163.3 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.8 t -101.04 136.34 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 20.1 mmtp -99.34 31.92 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -132.71 -54.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.9 p -109.32 14.36 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m 43.83 55.01 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.3 mt-10 -125.44 170.43 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 m -94.94 126.14 40.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mt -75.23 127.16 86.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.744 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.43 27.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.88 155.9 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 50.71 40.36 24.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -117.11 143.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.18 112.75 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -134.24 162.51 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -114.54 167.84 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.07 148.31 52.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 69' ' ' HIS . 66.0 mt -131.0 138.7 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.01 94.11 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.46 165.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -91.78 143.32 26.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.1 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.65 138.52 31.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 123.13 9.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -108.4 116.45 31.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -91.45 127.97 37.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.55 ' CE2' HD12 ' A' ' 44' ' ' ILE . 72.2 m-85 -125.92 141.57 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' PHE . 17.3 m80 -55.54 140.29 41.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 32.2 t80 -35.76 -35.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' HIS . 45.3 m -90.83 -57.11 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.8 m -45.15 -49.8 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -41.45 -36.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 67.9 m95 -84.31 -35.33 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -52.58 -50.18 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 69' ' ' HIS . 20.8 m -52.71 -34.68 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' HIS . . . 128.07 -40.62 1.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 44' ' ' ILE . 78.3 m-70 -33.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -103.1 160.38 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.414 HD11 ' CG2' ' A' ' 78' ' ' VAL . 81.0 mt -140.86 125.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -80.26 -54.91 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -126.66 85.99 59.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.23 34.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.567 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 14.0 t0 -50.89 -43.47 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -104.38 -41.27 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.04 -59.0 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG2' HD11 ' A' ' 71' ' ' ILE . 61.2 t -79.16 130.26 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.432 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 25.3 t0 -79.21 166.71 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.67 -35.79 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 54.6 t80 -35.33 -48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.6 p -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -66.2 -40.01 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.5 mt -53.5 167.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -86.65 151.91 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -41.05 -53.4 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -46.67 -60.35 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -47.77 76.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -46.29 -44.97 17.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.32 -45.46 76.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -53.68 -57.33 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -53.5 -47.24 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -56.2 -48.55 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.27 -56.67 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -51.42 -57.12 9.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.79 -46.89 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -44.94 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.044 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -109.92 155.54 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -149.0 108.07 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -107.5 134.99 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -164.54 173.88 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -82.03 111.76 18.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.61 131.37 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -82.31 -40.08 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -143.92 161.51 38.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.48 47.16 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -100.43 -45.42 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 154.28 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.3 p -125.16 173.29 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.16 140.7 46.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 32.8 mmtm -106.0 33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -133.99 -45.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.53 -13.93 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t 68.71 49.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -125.5 175.25 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -100.23 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.5 mt -65.67 124.68 88.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 147.42 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.295 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -67.68 154.29 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 57.45 42.55 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.3 p -126.63 156.13 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 61' ' ' PHE . 30.0 tp -85.4 106.29 16.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -122.73 159.05 28.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.27 162.99 14.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.5 152.16 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 69' ' ' HIS . 68.5 mt -138.54 128.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 mmt -83.9 93.34 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG21 ' CE1' ' A' ' 57' ' ' HIS . 17.2 m -114.09 167.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 110.854 -179.816 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.79 140.25 33.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.54 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.2 m170 -94.67 114.03 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -86.59 142.15 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -140.79 141.63 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -60.13 147.55 39.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 44.9 t80 -42.57 -35.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -90.31 -53.65 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 91.3 m -47.72 -53.99 13.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -40.29 -33.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 49.1 m95 -87.71 -31.79 19.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' CYS . 42.9 mmtt -51.69 -52.14 50.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.4 HG22 ' CD2' ' A' ' 69' ' ' HIS . 6.4 m -53.28 -45.63 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.55 47.22 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 44' ' ' ILE . 34.0 m-70 -107.77 49.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.424 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 3.1 m -49.18 163.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.461 HD13 ' CG2' ' A' ' 78' ' ' VAL . 65.0 mt -147.58 131.59 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.424 ' NH2' ' HB3' ' A' ' 70' ' ' SER . 0.0 OUTLIER -77.08 -59.09 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.484 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -125.51 85.39 58.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.585 0.707 . . . . 0.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.547 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 18.8 t0 -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -113.43 -43.7 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.4 -47.62 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 71' ' ' ILE . 53.0 t -92.02 136.09 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -84.94 166.84 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.12 -37.3 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 51.8 t80 -34.83 -53.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -44.4 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' GLY . 11.5 mm-40 -62.18 -37.62 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.6 mt -56.71 159.63 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -75.86 161.29 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -48.68 -52.93 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -47.87 -63.13 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.6 m-20 -51.72 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ASP . 75.0 mt-30 -35.35 -48.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.58 -53.29 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 61' ' ' PHE . 7.6 ttmm -47.25 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 90.1 t -35.58 -54.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -52.3 -53.24 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -43.07 -53.93 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.546 HG22 ' CD1' ' A' ' 65' ' ' TRP . 30.1 m -63.56 -47.43 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.84 -48.72 59.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.2 167.08 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -157.69 108.17 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 79' ' ' ASP . 13.6 p -101.66 140.76 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.45 171.11 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -79.87 112.22 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.06 125.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -70.38 -50.76 35.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 m -137.64 171.56 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.85 69.66 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -125.9 -45.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' CD1' ' A' ' 58' ' ' TRP . . . -55.63 143.85 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -111.58 178.9 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.1 t -117.35 130.05 56.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 41.0 mmtt -95.28 37.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HD3' ' CG1' ' A' ' 67' ' ' VAL . 12.4 tptt -134.99 -49.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -106.27 -18.16 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t 73.62 48.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.25 175.59 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.6 p -96.98 109.21 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.0 mt -54.85 120.91 31.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.16 68.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -76.74 151.07 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.43 39.25 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -124.97 160.93 27.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.82 104.2 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.496 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 22.8 ptt180 -122.64 160.19 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.643 ' CE ' ' CE2' ' A' ' 64' ' ' PHE . 1.2 mmt -113.05 169.91 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.56 148.85 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.418 HD12 ' CE2' ' A' ' 59' ' ' TYR . 83.8 mt -134.7 127.5 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 2.7 mmt -88.8 101.94 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.485 HG21 ' CE1' ' A' ' 57' ' ' HIS . 31.2 m -122.61 169.68 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 10.4 tm0? -98.18 108.01 20.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.435 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 5.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 57' ' ' HIS . 33.2 m -127.63 135.18 27.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 117.73 5.26 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CD2' HG23 ' A' ' 55' ' ' VAL . 24.4 m170 -99.33 114.05 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 94.7 m95 -86.34 123.7 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 58.5 m-85 -125.81 132.98 52.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -50.04 166.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.3 t80 -56.55 -40.93 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 m -86.84 -45.97 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.7 m -55.64 -45.16 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.643 ' CE2' ' CE ' ' A' ' 42' ' ' MET . 74.6 t80 -47.32 -31.76 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.4 m95 -91.61 -31.87 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -58.4 -52.05 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' ' HD3' ' A' ' 30' ' ' LYS . 24.2 m -40.56 -32.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 107.15 44.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -116.29 113.68 23.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -96.12 160.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.1 mt -147.12 127.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.521 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 17.6 mmt180 -78.86 -57.37 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.521 ' CD2' ' HB3' ' A' ' 72' ' ' ARG . 9.4 m-70 -125.07 89.62 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.95 27.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.549 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 39.5 t0 -64.91 -38.56 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -107.74 -38.08 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -64.43 -52.67 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.9 t -85.29 117.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' VAL . 43.8 t0 -75.97 134.88 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.38 -36.36 4.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 49.9 t80 -38.99 -47.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 -38.57 75.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -64.61 -42.07 95.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -45.38 155.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -63.24 167.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -60.43 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.7 -62.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.18 -54.28 8.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -40.68 -47.85 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 15.3 mt-30 -58.62 -40.19 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 17.3 ttmm -54.44 -51.61 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.53 -39.99 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 90' ' ' GLN . 19.6 mmmt -45.36 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 91' ' ' LYS . 10.6 pttt -64.39 -55.61 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.4 m -40.83 -42.58 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.16 85.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.89 -44.14 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -120.3 176.25 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -159.0 107.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.75 130.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.22 167.2 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 21' ' ' ALA . 41.9 m-85 -73.12 109.36 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.26 143.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -90.64 -44.06 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -149.45 170.89 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.56 40.65 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 5.0 ptp180 -99.16 -33.29 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -60.83 145.37 50.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 p -115.89 154.24 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -101.08 127.62 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 31.7 mmtm -90.21 17.44 7.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -114.84 -53.36 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.54 1.84 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t 52.57 49.49 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -123.45 171.72 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 m -97.19 102.21 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -48.26 128.32 12.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.33 66.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.31 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -71.28 145.32 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.33 50.79 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 p -135.86 144.74 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.61 116.08 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NH1' ' HB1' ' A' ' 26' ' ' ALA . 27.0 ptt180 -135.52 167.31 21.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.418 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 34.1 mtp -119.67 167.99 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.24 148.29 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.574 HD12 ' CD2' ' A' ' 69' ' ' HIS . 77.4 mt -131.89 123.97 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.09 93.94 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 57' ' ' HIS . 27.5 m -115.98 177.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -96.29 135.88 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 110.878 -179.821 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.57 135.52 18.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.72 2.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CE1' HG21 ' A' ' 46' ' ' VAL . 20.2 m170 -90.26 112.69 24.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.425 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 87.9 m95 -86.3 128.21 34.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 57' ' ' HIS . 67.8 m-85 -131.29 135.38 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -52.94 149.8 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 22.9 t80 -43.43 -35.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -91.34 -55.91 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 64.2 m -40.18 -43.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.418 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 18.3 t80 -52.58 -40.79 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.5 m95 -85.07 15.49 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -106.4 -43.06 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 69' ' ' HIS . 15.4 m -59.67 -30.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.15 42.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.574 ' CD2' HD12 ' A' ' 44' ' ' ILE . 9.1 m-70 -103.55 96.15 6.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.0 p -74.3 152.18 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 84.7 mt -146.22 121.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.17 -69.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -118.74 93.5 46.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -12.45 32.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 7.1 p-10 -65.27 -41.06 94.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.48 -38.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.05 -55.61 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.1 t -83.89 104.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.99 142.1 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 99.6 -41.47 2.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 12.9 t80 -38.15 -46.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -53.1 -42.47 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -61.19 -42.22 98.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.3 mt -46.74 142.59 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -60.89 163.9 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -49.79 -49.74 47.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -52.2 -60.96 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' GLN . 5.2 m-20 -52.76 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' ASP . 89.0 mt-30 -35.88 -45.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -67.42 -51.95 45.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -44.29 -52.02 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.29 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -47.25 -53.86 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -51.7 -55.15 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.8 m -55.41 -53.76 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.04 -50.01 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -53.43 -46.36 69.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -102.47 154.53 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -153.51 112.54 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG2' HD12 ' A' ' 40' ' ' LEU . 3.6 p -112.16 133.75 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 18' ' ' VAL . 18.8 pt-20 -163.87 168.88 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.0 m-85 -76.33 109.44 10.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -36.56 140.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -88.23 -46.43 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -141.5 144.73 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 72.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -125.42 -47.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.27 164.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -138.47 169.83 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 14.3 t -110.85 159.45 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 mmtp -110.63 -37.08 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HD2' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -51.78 -37.75 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.02 -19.69 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 69.77 47.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.87 -176.14 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -98.55 134.57 41.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.26 129.26 56.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -82.49 149.59 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 57.04 44.5 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -127.21 155.98 42.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD12 ' CG2' ' A' ' 18' ' ' VAL . 50.8 tp -76.91 116.65 17.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -133.9 169.25 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 45.1 mtp -126.07 162.53 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.57 148.83 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.575 HD13 ' CD2' ' A' ' 59' ' ' TYR . 87.2 mt -136.21 128.0 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 mmt -87.97 98.28 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CE1' ' A' ' 57' ' ' HIS . 31.6 m -116.75 174.36 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.53 157.78 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.97 137.13 19.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.564 ' CE1' HG21 ' A' ' 46' ' ' VAL . 23.6 m170 -95.81 117.52 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -90.5 130.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.575 ' CD2' HD13 ' A' ' 44' ' ' ILE . 79.4 m-85 -129.57 137.11 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' PHE . 45.7 m80 -58.57 139.52 55.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 35.3 t80 -32.4 -40.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -84.85 -52.15 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.4 m -44.0 -42.14 5.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 7.5 t80 -54.93 -36.17 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.6 m95 -88.84 10.32 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -100.05 -44.97 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 30' ' ' LYS . 6.9 m -55.02 -45.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.18 43.79 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.513 ' CD2' HD12 ' A' ' 44' ' ' ILE . 14.8 m-70 -85.1 151.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.7 m -117.2 119.8 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -127.35 110.06 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -71.2 -73.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.96 94.26 28.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.818 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.75 14.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.563 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 t0 -75.8 -36.57 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.39 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -69.68 -46.91 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.403 ' CG1' HG11 ' A' ' 18' ' ' VAL . 93.6 t -95.47 132.76 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.14 160.43 24.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 79.15 -41.87 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 30.4 t80 -34.36 -55.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -41.62 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.2 mt-10 -61.71 -41.41 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -46.74 163.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.452 ' N ' ' HD2' ' A' ' 85' ' ' ARG . 2.0 mpt_? -78.34 157.05 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.515 ' CE3' ' N ' ' A' ' 87' ' ' ASP . 20.6 t90 -39.13 -58.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.515 ' N ' ' CE3' ' A' ' 86' ' ' TRP . 36.0 t70 -41.9 -62.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -54.49 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -44.86 -46.08 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -72.85 -42.71 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -62.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -42.73 -48.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -49.32 -66.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -39.56 -63.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.421 HG23 ' CE2' ' A' ' 65' ' ' TRP . 65.3 m -49.89 -53.15 27.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.22 -54.01 24.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.62 -50.44 60.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -123.23 163.44 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -152.59 108.94 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -101.82 120.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -149.46 173.09 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 15.2 m-85 -84.59 111.38 19.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.03 114.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -45.12 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -138.63 161.17 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.66 44.12 3.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -111.7 38.87 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.1 161.27 24.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -128.25 129.46 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.4 t -77.45 132.84 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -95.66 35.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -135.05 -52.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -100.82 -13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t 67.91 46.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -126.07 173.84 8.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 p -93.14 104.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.3 mt -52.48 130.24 44.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.46 67.66 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 36.1 ttpt -77.88 160.58 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 6.7 p-10 46.15 42.35 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.6 p -123.61 152.28 42.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.05 109.97 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.548 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 21.3 ptt180 -128.89 164.09 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.519 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -113.61 168.63 9.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB1' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.63 149.75 46.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.559 HD13 ' CD2' ' A' ' 69' ' ' HIS . 41.9 mt -138.82 122.06 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.41 101.5 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.8 m -119.95 170.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -98.48 118.1 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.848 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.2 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 57' ' ' HIS . 28.7 m -136.57 137.78 24.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 113.45 3.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.288 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 17.6 m170 -95.63 111.71 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 93.1 m95 -86.46 133.72 33.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 57' ' ' HIS . 97.3 m-85 -131.66 150.39 52.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -68.45 158.45 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.7 t80 -46.25 -39.9 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' A' ' 63' ' ' CYS . 81.8 p -89.7 -50.3 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 62' ' ' SER . 69.7 m -46.0 -50.07 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.519 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 55.3 t80 -48.58 -34.12 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.2 m95 -85.43 -32.47 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -54.42 -52.19 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.1 m -48.4 -42.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.8 45.73 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CD2' HD13 ' A' ' 44' ' ' ILE . 23.2 m-70 -106.63 94.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.6 m -82.24 151.77 26.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.5 mt -145.64 118.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -70.47 -58.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -117.67 86.86 24.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.25 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.56 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 7.3 p-10 -73.96 -42.65 60.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.36 -32.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.4 t -81.37 114.03 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.62 111.25 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 135.43 -37.74 1.88 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 59.5 t80 -34.79 -49.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -63.34 -40.81 98.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' GLY . 39.9 mt-10 -66.0 -40.78 91.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.475 HD23 ' CZ ' ' A' ' 20' ' ' TYR . 95.5 mt -52.04 164.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -73.88 165.48 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -58.81 -49.74 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -58.52 -61.78 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -46.12 -51.61 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.4 -43.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -64.22 -42.07 96.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -53.8 -43.78 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.01 -40.7 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -45.1 -57.48 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' CG ' ' H ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -67.19 -59.4 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.468 HG23 ' NE1' ' A' ' 65' ' ' TRP . 31.5 m -39.21 -46.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.23 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.51 -33.54 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -109.19 156.83 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -148.08 109.85 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG1' HG11 ' A' ' 78' ' ' VAL . 7.7 p -102.98 132.33 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.85 149.94 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.8 m-85 -62.46 106.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -34.58 139.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.073 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -95.71 -41.83 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 p -134.02 141.34 47.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 45.19 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 25.7 ptt180 -102.86 -38.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.472 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -58.99 130.93 49.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 m -99.05 179.37 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.07 136.68 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.5 mmtt -98.38 31.08 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -130.48 -54.9 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.3 p -100.12 -17.59 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 71.19 54.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.58 173.61 11.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -95.65 115.4 27.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -67.47 130.6 93.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 158.79 55.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -78.0 156.71 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 52.02 41.75 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 p -119.61 157.15 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.18 106.42 14.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 26' ' ' ALA . 37.6 ptt180 -130.81 166.89 19.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtp -121.29 160.86 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.56 151.34 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.552 HD12 ' CD2' ' A' ' 69' ' ' HIS . 59.1 mt -134.03 130.16 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mmt -86.94 103.54 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 57' ' ' HIS . 21.9 m -121.62 174.55 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -108.94 124.5 50.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 110.868 -179.788 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.1 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.28 136.6 27.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 112.92 3.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 46' ' ' VAL . 14.5 m170 -95.36 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -87.3 137.3 32.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.0 m-85 -140.45 136.4 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.22 144.06 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.3 t80 -39.07 -37.9 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 t -87.11 -52.82 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 62.6 m -45.89 -52.95 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 17.1 t80 -41.8 -37.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 72.1 m95 -80.66 -35.06 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -52.82 -50.64 63.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' CD2' ' A' ' 69' ' ' HIS . 16.3 m -54.35 -32.4 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.428 ' N ' HG22 ' A' ' 67' ' ' VAL . . . 107.95 41.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CD2' HG23 ' A' ' 67' ' ' VAL . 8.6 m-70 -101.55 87.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 p -75.4 148.49 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.6 mt -134.05 103.47 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -51.43 -60.17 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -129.26 95.03 31.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -4.8 14.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.552 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.5 t70 -78.25 -37.53 44.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -109.41 -28.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -72.41 -57.17 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 79' ' ' ASP . 84.7 t -74.67 137.04 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 78' ' ' VAL . 33.3 t0 -88.54 114.92 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.15 35.28 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 87.9 t80 -85.12 -55.72 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -50.24 -34.65 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.9 mt -47.9 142.22 5.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.56 155.31 33.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -40.98 -55.97 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -49.19 -45.65 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.99 -51.46 58.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.55 -45.25 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.44 -43.16 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -57.19 -55.85 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.0 t -51.91 -51.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.41 -62.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -48.38 -44.24 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.468 HG22 ' NE1' ' A' ' 65' ' ' TRP . 32.8 m -66.42 -35.33 80.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -50.51 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 9.8 pt-20 -56.91 -38.74 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.5 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -102.62 166.94 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -154.89 149.72 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -148.24 126.19 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -160.66 163.88 32.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.8 m-85 -74.47 106.41 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.08 137.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -80.53 -41.48 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -151.6 172.88 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.07 70.57 1.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.12 -55.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.63 156.03 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 m -121.84 173.27 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 21.2 mmtp -90.99 15.01 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -113.87 -60.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -103.5 19.63 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' CYS . 3.7 t 38.11 54.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.431 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.1 mt-10 -123.01 -176.34 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -103.72 131.68 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -81.28 120.94 79.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.02 67.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 48.9 tttt -76.17 148.45 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.7 t70 64.35 43.16 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.8 p -130.13 150.84 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.97 112.05 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -131.46 170.22 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -124.05 173.94 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . . . -146.34 146.28 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 64' ' ' PHE . 3.8 mp -132.33 129.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -80.9 111.51 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -133.89 172.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.25 140.47 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.81 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -129.96 139.51 35.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.7 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -96.16 111.63 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CZ3' ' HB3' ' A' ' 43' ' ' ALA . 89.3 m95 -86.13 143.59 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 64.7 m-85 -146.12 140.76 26.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -58.61 146.44 36.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 31.3 t80 -39.52 -34.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.4 p -91.36 -56.43 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 87.1 m -44.29 -41.41 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.555 ' CD2' HD12 ' A' ' 44' ' ' ILE . 50.3 t80 -55.0 -35.61 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 57.2 m95 -84.28 -33.26 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -55.25 -51.92 65.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 m -50.97 -45.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.12 36.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -91.29 45.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.325 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.433 ' C ' HG13 ' A' ' 71' ' ' ILE . 24.5 m -49.08 150.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 78' ' ' VAL . 61.5 mt -147.44 131.61 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -121.23 85.3 41.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.43 34.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.564 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.3 t70 -62.39 -33.56 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.45 -39.11 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -66.55 -46.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 71' ' ' ILE . 55.1 t -93.77 125.12 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.24 153.37 34.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 92.76 -37.7 3.33 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 84.4 t80 -34.34 -55.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.365 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -51.88 -41.32 61.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' GLY . 37.2 mt-10 -61.32 -42.62 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.403 HD21 ' CZ ' ' A' ' 20' ' ' TYR . 94.9 mt -45.05 170.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.41 165.25 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -51.45 -50.24 60.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.64 -63.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.8 m-20 -50.52 -56.42 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -40.56 -46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -63.88 -38.63 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 19.9 ttmt -58.14 -53.1 62.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.95 -38.88 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.96 -67.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.56 -54.93 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' NE1' ' A' ' 65' ' ' TRP . 79.3 m -39.39 -45.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.43 64.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.26 -45.74 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -122.61 170.51 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -157.83 108.17 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -103.29 128.54 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -158.71 169.59 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ALA . 28.5 m-85 -78.98 115.12 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -34.22 117.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.02 -45.39 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -141.13 172.2 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.46 43.15 2.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -103.92 -60.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.1 126.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.7 p -95.52 165.04 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.3 t -100.05 135.21 41.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 24.6 mmmt -99.04 32.74 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -132.66 -51.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 32.1 p -114.78 15.09 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 t 42.58 55.0 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.9 mt-10 -123.53 172.02 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.9 p -98.94 106.3 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -51.52 119.72 13.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.07 62.29 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -70.93 150.14 46.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 62.59 43.23 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 p -132.54 142.26 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 61' ' ' PHE . 16.7 tp -68.14 116.3 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -132.9 173.33 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.465 ' HE1' ' CE2' ' A' ' 64' ' ' PHE . 1.7 mmt -126.25 168.59 13.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -139.53 113.14 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.3 mt -97.59 130.5 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.7 mmm -92.11 100.43 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.01 168.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -97.21 124.51 41.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.903 -179.818 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.403 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.6 m -121.1 137.65 26.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.726 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.403 ' CD2' HG23 ' A' ' 55' ' ' VAL . 21.4 m170 -105.64 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.412 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 88.6 m95 -86.62 128.32 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 52.8 m-85 -130.41 144.19 51.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -61.64 145.02 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 45.8 t80 -37.91 -33.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 98.7 p -93.14 -51.83 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 63.5 m -46.98 -45.62 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CE2' ' HE1' ' A' ' 42' ' ' MET . 56.4 t80 -51.97 -33.59 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.9 m95 -83.71 -34.82 24.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -54.37 -51.4 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG21 ' CD2' ' A' ' 69' ' ' HIS . 3.5 m -52.9 -25.96 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.22 47.03 2.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.433 ' CD2' HG21 ' A' ' 67' ' ' VAL . 5.9 m-70 -109.52 50.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -46.57 163.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.3 mt -145.68 125.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -64.11 -62.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -130.01 91.4 39.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.64 37.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 42.8 t0 -58.76 -44.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.74 -29.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.98 -47.15 39.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -92.94 126.4 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.81 130.07 35.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 117.03 -37.19 3.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 78.7 t80 -37.76 -61.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.4 t -46.92 -42.3 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.813 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.0 -41.7 99.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -49.48 153.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -64.91 173.35 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -61.77 -58.88 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -47.64 -53.44 14.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.76 -49.99 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -43.94 -44.8 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.72 -38.78 80.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -58.48 -57.72 11.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.37 -41.21 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -52.7 -70.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -50.83 -55.91 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -44.03 -47.1 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.09 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -52.59 -45.15 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.93 154.44 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -155.09 107.3 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 p -100.21 127.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -148.43 177.19 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -92.57 104.06 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.17 130.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -81.57 -38.93 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 p -136.07 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.47 45.84 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 26' ' ' ALA . 67.5 mtp180 -101.22 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.809 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -34.53 136.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -106.62 168.11 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -99.64 137.54 37.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 20.0 mmmt -100.38 32.29 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -133.67 -52.02 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -108.66 4.78 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m 52.71 54.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.8 mt-10 -128.7 174.71 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -97.81 130.55 44.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.47 130.06 75.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.74 65.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -76.71 155.07 33.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 50.95 51.71 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -132.55 164.88 25.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.27 112.57 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' NH1' ' CB ' ' A' ' 26' ' ' ALA . 26.1 ptt180 -129.31 168.1 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 22.5 mtp -118.45 168.52 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -138.46 114.83 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 59' ' ' TYR . 70.5 mt -103.12 130.48 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.9 mmm -92.97 102.3 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' CE1' ' A' ' 57' ' ' HIS . 18.6 m -116.67 172.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -100.78 134.88 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.835 -179.813 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.4 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 m -147.75 139.28 13.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CE1' HG22 ' A' ' 46' ' ' VAL . 19.8 m170 -104.54 114.19 28.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -86.86 136.28 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' HD12 ' A' ' 44' ' ' ILE . 73.2 m-85 -132.62 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' SER . 19.5 m80 -73.65 133.88 43.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.6 t80 -34.0 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 60' ' ' HIS . 26.6 t -90.74 -54.79 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 58.7 m -45.28 -43.79 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 12.0 t80 -53.35 -33.6 54.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 54.3 m95 -87.84 16.66 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -108.25 -45.3 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 69' ' ' HIS . 5.9 m -58.15 -35.2 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.34 43.82 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 67' ' ' VAL . 20.4 m-70 -97.96 85.64 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 m -69.43 151.12 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.6 mt -144.89 116.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 72' ' ' ARG . 26.7 mtt180 -70.32 -56.35 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -127.18 92.29 44.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.21 2.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.564 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -84.05 -41.56 17.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 77' ' ' GLU . 21.0 m -108.9 -30.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' N ' HG21 ' A' ' 76' ' ' VAL . 23.5 mt-10 -76.74 -42.79 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.6 t -98.65 100.1 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.46 166.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 79.2 -42.42 2.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 71.3 t80 -37.06 -54.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -51.52 -42.54 61.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 80' ' ' GLY . 22.8 mt-10 -61.35 -41.68 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.46 156.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -74.43 155.75 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -42.3 -51.45 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.66 -53.47 24.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.4 -49.91 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.545 ' HA ' ' CE1' ' A' ' 81' ' ' PHE . 61.1 mt-30 -43.39 -46.48 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.479 ' NE2' ' HZ1' ' A' ' 93' ' ' LYS . 59.6 mm-40 -67.5 -46.4 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -51.44 -47.49 63.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -42.5 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.479 ' HZ1' ' NE2' ' A' ' 90' ' ' GLN . 36.1 mtpt -56.6 -57.84 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -50.47 -62.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.8 m -51.82 -50.78 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.17 -55.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.98 -45.68 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -58.07 147.04 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -77.62 -50.93 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.32 158.44 34.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m -140.39 109.33 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -75.89 173.2 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.56 47.25 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ttt -116.95 123.41 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.43 128.54 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -129.12 127.81 42.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -82.04 -40.85 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -115.55 110.67 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.89 45.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' A' ' 76' ' ' VAL . 26.7 mttp -45.12 139.78 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.55 -42.88 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -101.77 155.88 17.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -154.07 108.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.53 131.14 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -162.93 148.39 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.7 m-85 -59.5 113.51 2.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -35.91 143.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -95.11 -42.65 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 t -138.92 171.33 14.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.29 46.83 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -111.87 -42.78 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.49 129.89 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.6 p -98.84 163.92 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 t -113.31 139.22 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 16.5 mmmt -102.35 32.52 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HG2' ' CB ' ' A' ' 63' ' ' CYS . 0.1 OUTLIER -132.2 -43.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.38 -4.69 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 m 56.88 52.45 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -128.82 173.99 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.0 p -98.98 104.49 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -49.55 127.07 17.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.04 61.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -77.69 141.73 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 67.52 39.55 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.8 p -122.59 146.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 tp -72.58 110.74 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -130.43 157.34 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.509 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 39.3 mtp -113.74 168.13 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.8 148.48 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 69' ' ' HIS . 48.9 mt -136.9 133.14 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mmt -91.79 109.44 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG21 ' CE1' ' A' ' 57' ' ' HIS . 12.4 m -125.3 158.15 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.68 112.99 25.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -82.48 136.49 45.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -34.3 14.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mmt -84.43 -42.25 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.77 -3.05 36.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 40.41 35.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.09 -164.37 17.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -100.9 135.0 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.45 139.55 35.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 114.03 3.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.549 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.7 m170 -100.61 113.39 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -86.57 132.2 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.489 ' CD2' HD13 ' A' ' 44' ' ' ILE . 62.0 m-85 -132.72 131.52 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -49.56 157.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.485 ' CE2' ' HE2' ' A' ' 91' ' ' LYS . 29.0 t80 -46.0 -36.72 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p -91.47 -51.99 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 64.5 m -42.67 -47.31 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 25.4 t80 -51.56 -35.57 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.483 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.0 m95 -84.66 -33.43 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . 29.8 mttt -53.76 -52.3 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 69' ' ' HIS . 25.3 m -51.08 -35.55 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 42.89 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.557 ' CD2' HD11 ' A' ' 44' ' ' ILE . 18.1 m-70 -104.17 83.45 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 28.5 mt -139.16 122.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -74.46 -64.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -116.02 83.3 12.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.9 15.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.526 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.1 t70 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.493 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 27.0 m -114.61 -39.43 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.31 -44.25 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 63.3 t -97.12 122.17 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.402 ' CA ' ' HD2' ' A' ' 14' ' ' LYS . 21.9 t70 -68.41 164.91 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -39.04 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 27.0 t80 -34.81 -58.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -55.65 -38.93 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -64.58 -42.03 95.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.39 159.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -74.77 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -52.47 -54.74 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -46.5 -62.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.42 -54.39 17.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -44.08 -51.12 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -63.4 -43.36 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.485 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 32.8 tttt -55.65 -58.42 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.4 -39.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -60.5 -53.43 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -52.33 -42.26 63.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.415 HG23 ' NE1' ' A' ' 65' ' ' TRP . 20.9 m -69.09 -58.44 4.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.29 -47.39 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.57 -47.08 85.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.1 89.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.9 47.54 19.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.46 148.95 4.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -67.51 -54.24 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.14 91.65 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' SER . 54.1 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 t -43.21 91.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.6 m -103.45 145.61 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -163.67 169.26 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -126.77 168.97 13.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -173.77 7.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -159.17 151.16 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 p -76.04 175.8 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.99 79.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -52.73 141.71 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 150.61 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -104.25 158.02 16.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -97.41 74.75 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.9 p -158.35 110.3 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.12 41.37 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 22.9 mmtm -96.25 123.63 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.01 -40.79 90.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -104.82 153.6 21.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -149.19 107.05 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -106.41 123.21 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -158.42 173.06 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -78.87 113.75 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.68 132.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -76.84 -42.56 39.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -152.64 161.09 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.67 48.46 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -100.7 -47.67 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 152.22 23.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.6 m -117.05 173.14 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.0 t -105.62 138.11 42.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 50.7 mmtt -99.32 30.59 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 tptt -131.61 -53.29 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.41 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.3 p -110.89 15.11 21.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t 42.25 55.07 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.41 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 8.8 mm-40 -123.34 167.57 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.28 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mt -50.75 126.98 25.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.666 0.746 . . . . 0.0 111.096 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.57 65.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.93 141.51 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 68.96 42.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 p -128.53 159.4 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 84' ' ' LEU . 37.4 tp -82.11 119.58 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -138.47 172.98 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.0 mtp -129.13 167.97 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.561 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . . . -133.94 153.33 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' A' ' 59' ' ' TYR . 66.3 mt -140.68 127.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.35 108.12 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' A' ' 57' ' ' HIS . 16.9 m -126.66 170.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 6.6 tm0? -101.56 122.91 44.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -100.32 138.55 20.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -26.43 27.41 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.9 mmm -78.41 -46.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.81 160.99 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.34 39.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.84 -128.05 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -119.86 162.01 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.9 142.16 29.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 112.18 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.56 ' CE1' HG23 ' A' ' 46' ' ' VAL . 12.1 m170 -94.79 110.24 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.561 ' CZ3' ' HB3' ' A' ' 43' ' ' ALA . 95.6 m95 -86.27 128.64 34.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.6 m-85 -128.24 150.06 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.8 m80 -69.02 139.94 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 46.5 t80 -34.02 -33.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.2 m -92.97 -54.99 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.2 m -45.97 -50.23 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.423 ' CE2' HD12 ' A' ' 44' ' ' ILE . 8.5 t80 -44.63 -32.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 63.7 m95 -85.67 -34.97 21.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -52.71 -52.01 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -48.53 -37.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 45.52 0.99 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -110.04 87.07 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.0 p -71.84 161.18 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 77.7 mt -147.08 114.91 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -60.08 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -125.19 89.19 53.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.56 34.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.525 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.4 p-10 -61.58 -41.73 97.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.02 -39.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.11 -44.7 94.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.6 t -95.43 127.25 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.407 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 9.7 t70 -76.27 152.21 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 90.65 -37.83 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.525 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 14.1 t80 -36.69 -48.85 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 t -56.69 -43.07 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 mt-10 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 40' ' ' LEU . 97.4 mt -44.0 153.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -67.66 157.63 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -45.1 -59.53 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -49.89 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -51.28 -54.25 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -43.9 -48.7 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.96 -43.32 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.547 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.6 ttmt -56.03 -52.17 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.56 -47.18 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -59.08 -51.33 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -56.36 -49.1 75.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.464 HG22 ' NE1' ' A' ' 65' ' ' TRP . 83.9 m -61.52 -51.05 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.69 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -54.39 -45.28 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.14 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.38 63.28 3.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.34 172.69 37.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.3 m -157.65 162.8 38.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.39 169.8 42.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 97.01 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.8 m -75.38 170.8 15.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 m -56.66 98.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.533 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -158.92 155.81 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -160.89 147.26 14.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.37 122.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -112.45 82.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -55.93 158.15 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.9 73.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.03 130.56 50.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.75 127.36 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -145.23 130.13 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -68.19 105.49 2.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 t -161.54 114.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.08 42.18 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -91.96 159.14 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.63 -48.25 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -108.08 153.6 22.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -153.95 107.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 19' ' ' GLU . 11.0 p -100.12 142.77 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.484 ' N ' HG23 ' A' ' 18' ' ' VAL . 23.2 pt-20 -171.36 161.0 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ALA . 35.3 m-85 -71.63 109.97 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -35.12 114.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' O ' ' NZ ' ' A' ' 37' ' ' LYS . 13.5 tptp -63.43 -37.58 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -152.68 154.71 35.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.09 62.05 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -131.61 39.24 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.11 134.9 36.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -103.48 168.5 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.9 t -107.89 139.37 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -104.64 35.16 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' HD3' ' CG1' ' A' ' 67' ' ' VAL . 10.2 tptp -133.66 -48.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -109.46 -7.5 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t 65.62 55.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.24 176.69 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -99.94 129.17 45.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.38 127.46 82.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.743 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.6 62.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' NZ ' ' O ' ' A' ' 22' ' ' LYS . 51.1 tttp -77.74 152.34 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.52 43.15 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 p -123.37 152.3 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD12 ' CG2' ' A' ' 18' ' ' VAL . 31.7 tp -77.02 112.74 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 31.5 ptt180 -133.92 171.34 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.425 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -120.95 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -141.62 150.38 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.566 HD11 ' CD1' ' A' ' 59' ' ' TYR . 38.4 mt -137.08 135.51 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.425 ' N ' HG21 ' A' ' 44' ' ' ILE . 7.3 mmt -93.2 94.75 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.423 ' CG2' ' CE1' ' A' ' 57' ' ' HIS . 27.4 m -115.56 169.04 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.68 150.57 23.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -118.4 145.03 36.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.24 2.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.3 mmt -78.74 -43.18 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 2.3 t80 -74.56 -1.57 22.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER 33.26 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . -159.22 -163.62 13.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -101.65 138.69 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.2 m -136.16 137.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 111.094 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.423 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 20.8 m170 -105.9 115.34 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.542 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 68.5 m95 -93.74 134.12 36.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CD1' HD11 ' A' ' 44' ' ' ILE . 87.2 m-85 -127.9 155.27 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.4 m80 -68.19 140.45 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 28.4 t80 -33.69 -37.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' HIS . 80.1 p -87.97 -55.83 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 93.3 m -45.05 -52.54 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD2' ' CB ' ' A' ' 42' ' ' MET . 41.0 t80 -43.86 -35.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 41.3 m95 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -53.97 -51.69 63.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.414 ' CG1' ' HD3' ' A' ' 30' ' ' LYS . 11.6 m -49.66 -43.89 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.69 48.04 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.37 96.18 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 m -81.7 139.38 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.1 mt -133.88 100.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -47.59 -62.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 3.2 m170 -126.41 94.64 40.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.567 0.699 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.02 34.13 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.455 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 7.4 p-10 -57.57 -37.94 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.3 m -111.02 -45.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.31 130.28 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.31 165.36 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.6 -37.46 2.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.455 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 14.8 t80 -38.28 -54.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.9 t -55.09 -43.01 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.13 -41.95 97.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.3 mt -50.44 168.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -85.95 162.94 18.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -45.5 -53.03 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -51.19 -61.63 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -56.76 8.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -38.97 -43.78 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -70.56 -56.16 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -40.5 -51.8 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.86 -35.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -59.83 -66.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -49.38 -52.78 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.3 m -53.71 -57.16 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.94 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -43.06 -45.47 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.47 -43.42 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.13 -56.06 1.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -156.67 127.6 2.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 t -97.77 120.78 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.87 -94.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.9 p -137.85 155.93 48.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -45.89 -54.6 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -166.39 173.55 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -133.73 157.62 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.2 172.86 45.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -134.92 148.4 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -94.19 146.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 126.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tpt -38.95 126.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.67 105.13 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.8 103.04 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -168.91 150.75 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p 38.49 39.25 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -107.82 80.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -101.26 125.35 47.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -50.83 -44.96 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -115.6 163.61 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -159.13 113.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -110.99 134.08 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.5 170.54 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.3 m-85 -75.48 104.79 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.84 122.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -48.71 68.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 t -137.44 158.8 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.62 43.57 3.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -100.35 -43.88 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.36 138.11 55.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 p -107.11 162.13 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -92.52 170.99 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 55.1 mmtt -120.11 -36.33 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -68.98 -34.47 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -118.59 -27.82 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t 72.8 49.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -118.82 176.71 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.7 p -94.06 103.41 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.8 125.59 47.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.32 47.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -65.21 148.25 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 43.28 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 p -127.74 148.45 50.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' CD1' HD23 ' A' ' 84' ' ' LEU . 14.7 tp -73.46 106.97 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.504 ' HD2' ' CE3' ' A' ' 58' ' ' TRP . 16.5 ptt180 -122.89 161.36 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.503 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -115.25 160.04 20.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.51 131.96 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 69' ' ' HIS . 54.4 mt -119.93 138.16 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.7 mmt -95.86 101.06 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.551 HG21 ' CE1' ' A' ' 57' ' ' HIS . 10.8 m -111.6 165.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -94.31 106.41 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -68.47 122.03 82.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -35.11 13.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.5 mtt -75.94 -46.83 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.86 178.72 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -111.15 43.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.29 -159.11 21.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -105.37 143.02 34.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -122.19 138.7 29.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.551 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 m170 -95.14 114.96 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.504 ' CE3' ' HD2' ' A' ' 41' ' ' ARG . 92.9 m95 -86.79 133.35 33.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 70.9 m-85 -133.59 130.47 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -50.18 160.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 27.9 t80 -50.17 -35.79 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.1 p -93.0 -44.7 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 34.6 m -48.55 -51.37 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.503 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 20.3 t80 -47.34 -34.07 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 50.8 m95 -87.68 -33.65 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -53.35 -49.39 67.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.486 HG23 ' CD2' ' A' ' 69' ' ' HIS . 18.8 m -51.24 -34.62 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.9 43.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.56 ' CD2' HD11 ' A' ' 44' ' ' ILE . 16.9 m-70 -99.49 119.96 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.0 p -99.61 153.37 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.6 mt -146.48 130.84 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -79.47 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.1 m-70 -128.73 90.92 44.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -16.35 37.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.1 p-10 -56.06 -37.17 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.434 HG21 ' N ' ' A' ' 77' ' ' GLU . 28.9 m -111.17 -39.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' N ' HG21 ' A' ' 76' ' ' VAL . 36.0 mt-10 -65.38 -56.87 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 91.6 t -82.06 106.18 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.26 160.83 4.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 86.68 -39.33 3.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 17.3 t80 -34.97 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.414 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 2.0 t -57.4 -41.5 80.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.7 mt-10 -61.95 -42.27 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.452 HD23 ' CD1' ' A' ' 40' ' ' LEU . 24.5 mt -54.81 150.55 9.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -67.16 159.79 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -44.95 -51.39 9.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.59 -55.65 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.1 m-20 -58.3 -58.66 7.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 82' ' ' SER . 76.9 mt-30 -38.36 -46.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.1 -49.81 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -45.88 -60.21 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' LYS . 87.4 t -49.09 -60.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' VAL . 24.2 mtpp -36.27 -62.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -49.18 -52.14 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.466 HG21 ' NE1' ' A' ' 65' ' ' TRP . 31.6 m -53.97 -57.16 12.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.98 -46.69 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.76 -45.84 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.88 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.07 -68.5 2.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.9 -52.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.6 m -92.3 143.86 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.868 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.73 121.46 3.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.06 20.08 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.3 t -77.74 126.09 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.0 m -117.98 160.31 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -139.33 173.82 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m -161.26 114.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.7 149.16 17.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -75.26 164.94 25.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -131.47 119.28 21.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.37 65.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mtt -113.76 131.7 56.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.64 136.62 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -123.44 99.63 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -90.15 44.82 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.2 p -123.63 113.14 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -90.18 71.21 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -130.73 122.0 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.72 -40.17 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -113.87 153.34 29.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -149.84 107.52 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.6 p -99.55 137.36 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -169.95 158.93 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.6 m-85 -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.33 141.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -87.0 -43.31 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -145.45 146.94 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.8 67.17 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 2.7 ppt_? -121.07 -40.42 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 110.82 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 25' ' ' ARG . . . -65.71 122.88 18.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -83.25 171.38 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.37 135.21 42.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.7 mmtt -91.51 28.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.418 ' CD ' HG12 ' A' ' 67' ' ' VAL . 10.1 tptp -133.34 -54.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 28.7 p -109.36 15.31 23.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m 39.98 54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -120.34 174.64 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.7 p -100.28 99.73 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 58' ' ' TRP . 96.9 mt -45.75 124.61 6.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.19 64.33 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 39.4 tttm -67.93 165.6 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 8.2 p-10 38.97 48.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 p -128.46 154.5 46.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.56 113.09 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 19.2 ptt180 -133.29 173.35 11.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.8 mtp -125.58 160.9 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -129.78 116.72 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.054 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.433 HD12 ' CD2' ' A' ' 64' ' ' PHE . 86.6 mt -104.91 131.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 68.2 mmm -90.32 115.64 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.4 177.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -103.82 131.05 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -101.62 138.37 19.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -36.52 10.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.51 -45.02 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -87.12 162.46 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -98.79 38.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.24 -148.98 6.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.442 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -108.32 150.29 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 57' ' ' HIS . 26.8 m -129.37 139.79 36.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CD2' HG22 ' A' ' 55' ' ' VAL . 19.2 m170 -106.74 114.73 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 35' ' ' ILE . 84.7 m95 -87.7 129.35 35.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 72.9 m-85 -128.36 149.64 50.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.5 m80 -70.85 140.28 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 23.7 t80 -36.22 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -93.09 -54.75 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 66.4 m -44.89 -48.36 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.433 ' CD2' HD12 ' A' ' 44' ' ' ILE . 11.6 t80 -47.3 -32.87 5.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 59.4 m95 -87.05 -31.35 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -55.34 -51.96 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.418 HG12 ' CD ' ' A' ' 30' ' ' LYS . 13.9 m -53.54 -38.09 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 47.92 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.404 ' ND1' HD11 ' A' ' 44' ' ' ILE . 4.4 m-70 -102.25 84.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.1 p -65.44 156.43 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.1 mt -146.42 120.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -62.44 -70.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -122.93 91.16 49.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.497 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 4.7 p-10 -72.91 -33.74 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -115.28 -28.31 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.67 -49.88 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 90.7 t -84.94 105.71 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -55.41 160.39 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.93 -37.97 2.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 4.5 t80 -35.61 -52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.0 t -56.0 -40.56 73.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' GLY . 90.8 mt-10 -61.93 -42.79 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.08 157.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -74.69 161.9 29.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -41.59 -55.84 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -52.85 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.73 -46.01 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -52.15 -55.06 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.98 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -50.23 -42.78 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.62 -41.02 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.17 -42.39 85.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -72.18 -48.0 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -56.88 -50.1 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.57 -47.56 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -54.88 -47.31 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 99' ' ' GLY . . . -58.4 -42.98 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 98' ' ' ALA . . . -34.78 -40.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 99' ' ' GLY . . . -35.9 -80.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.6 t -88.58 91.53 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -53.66 139.63 35.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.46 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 p -108.04 163.06 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.2 m -103.34 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -160.23 128.62 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -174.48 125.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.09 127.74 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -54.43 -53.92 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 p -149.98 163.16 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.95 134.88 10.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 mtm -81.9 83.57 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.4 112.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -45.73 116.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.6 p -130.91 129.2 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m -105.39 120.96 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -89.12 47.5 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -68.91 162.18 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.93 -46.32 36.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -109.41 159.36 17.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -159.13 113.7 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.418 ' CG2' HD13 ' A' ' 40' ' ' LEU . 11.9 p -109.27 135.41 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.81 153.96 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.456 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 19.9 m-85 -62.37 114.82 3.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.28 128.97 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -79.34 -43.45 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -139.82 157.64 45.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.02 44.73 3.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -101.39 -45.58 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.43 145.37 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -112.17 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 39.3 t -106.85 142.7 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 65.0 mmtt -104.25 34.4 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -135.0 -54.36 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.52 -17.46 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t 72.29 46.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.07 173.98 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.7 p -90.94 127.04 36.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.49 127.8 89.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 150.22 67.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.301 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -74.48 152.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 t70 55.13 42.94 30.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 p -126.07 144.98 50.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 18' ' ' VAL . 26.0 tp -69.96 117.26 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.482 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 31.8 ptt180 -132.76 164.13 27.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 36.7 mtp -118.27 156.79 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -128.42 129.18 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.575 HD11 ' CE2' ' A' ' 59' ' ' TYR . 51.1 mt -114.51 132.59 63.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.68 98.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 17.0 m -106.43 176.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -111.05 111.15 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 m -82.7 135.11 46.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -43.04 2.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.1 mtp -65.31 -44.52 87.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.67 162.93 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -97.11 42.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.15 -152.51 12.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 49.8 mttt -104.33 164.64 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.85 139.21 17.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.75 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.6 3.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 10.1 m170 -103.03 112.5 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 81.3 m95 -86.7 132.09 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.575 ' CE2' HD11 ' A' ' 44' ' ' ILE . 80.0 m-85 -129.69 153.91 47.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -69.57 143.56 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.7 t80 -39.62 -31.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -93.92 -53.9 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 80.7 m -46.1 -48.68 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 21.3 t80 -46.92 -32.49 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.8 m95 -86.58 -32.39 20.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -54.13 -52.21 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -51.77 -41.03 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.52 41.86 0.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -106.76 97.13 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 t -87.85 158.42 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 26.6 mt -140.74 112.89 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.38 -55.84 29.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -131.37 93.27 29.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -10.72 29.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.282 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 3.4 t0 -69.85 -39.03 76.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.11 -37.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.04 -46.65 77.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.1 t -96.0 120.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 35.5 t0 -72.84 131.96 42.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 119.07 -38.38 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 78.8 t80 -35.9 -58.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.5 t -50.32 -44.79 54.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -61.68 -41.7 97.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.456 HD23 ' CZ ' ' A' ' 20' ' ' TYR . 89.9 mt -50.66 166.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -87.94 162.64 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -45.96 -57.51 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -43.22 -62.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.43 -57.58 10.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -38.62 -44.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -69.99 -45.75 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.429 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 16.5 ttmt -54.8 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.24 -42.53 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -49.93 -54.13 21.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -63.86 -58.61 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 m -45.43 -43.73 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.5 67.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.52 -45.56 84.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.95 65.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.62 -70.08 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.32 -162.12 25.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.5 t 48.36 40.98 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.01 -75.78 1.07 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -173.8 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m -77.39 139.52 39.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.4 p -127.66 -28.63 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -117.93 171.04 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -157.82 146.42 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 -166.83 26.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -141.46 156.33 45.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -148.46 108.61 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 67.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mmt -87.75 83.95 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 119.94 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -128.49 91.79 3.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 p -55.52 -52.91 62.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -53.25 117.13 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -97.37 41.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HD2' ' CA ' ' A' ' 79' ' ' ASP . 35.6 mttp -70.26 161.89 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.8 -42.95 10.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -104.57 158.31 16.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -146.73 107.4 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 HG12 ' CG1' ' A' ' 78' ' ' VAL . 5.3 p -103.08 123.62 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.76 169.37 24.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -72.62 137.56 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.4 146.44 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -96.78 -42.19 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -144.8 159.38 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 47.77 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' ALA . 77.3 mtp85 -113.5 -54.89 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -37.27 124.58 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -97.69 155.63 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.97 136.55 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 14.9 mmtp -96.85 28.72 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.8 -53.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 30.9 p -110.45 16.37 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 p 41.05 54.91 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.415 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 19.3 mt-10 -124.41 177.71 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -99.76 126.99 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.0 mt -75.32 126.95 87.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.25 47.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.41 149.0 49.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 57.16 43.86 23.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.1 p -128.14 145.54 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.5 114.16 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -132.63 164.26 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.1 mtp -117.52 162.47 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . . . -135.06 155.84 50.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 69' ' ' HIS . 53.5 mt -137.47 112.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 3.1 mmt -69.18 105.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.522 HG23 ' CE1' ' A' ' 57' ' ' HIS . 27.1 m -129.75 176.28 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -113.86 134.69 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -84.31 135.34 41.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.3 mtm -82.8 -43.9 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.34 171.47 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -111.19 40.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.01 -163.37 18.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -103.96 147.25 27.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.83 134.76 23.65 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.665 0.745 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.32 7.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.522 ' CE1' HG23 ' A' ' 46' ' ' VAL . 21.0 m170 -103.49 112.05 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB3' ' A' ' 43' ' ' ALA . 74.8 m95 -86.32 145.56 26.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.9 m-85 -145.17 130.94 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' SER . 20.2 m80 -49.37 136.52 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.494 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 33.4 t80 -35.97 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' HIS . 23.1 p -93.06 -55.33 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.2 m -46.2 -40.43 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 4.8 t80 -53.64 -34.17 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.48 ' NE1' HG23 ' A' ' 95' ' ' THR . 71.9 m95 -88.31 16.46 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -105.02 -47.49 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.26 -27.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.14 41.18 3.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.418 ' CE1' HD13 ' A' ' 44' ' ' ILE . 5.7 m170 -96.09 84.99 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.2 t -56.9 148.32 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.407 HG13 ' C ' ' A' ' 70' ' ' SER . 89.4 mt -149.39 118.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -65.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -131.06 98.47 18.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.22 35.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.518 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.5 t70 -56.24 -40.68 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.88 -32.27 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.33 -49.34 27.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.429 ' CG1' HG12 ' A' ' 18' ' ' VAL . 58.9 t -94.68 129.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' CA ' ' HD2' ' A' ' 14' ' ' LYS . 26.2 t70 -75.95 167.1 22.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.796 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.84 -34.99 2.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 28.5 t80 -38.86 -44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -61.88 -37.56 85.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.7 mt-10 -66.61 -41.42 88.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.2 mt -51.17 147.88 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.79 162.39 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -48.29 -54.47 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.45 -60.17 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.13 -48.58 53.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -47.75 -48.22 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.97 -43.76 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.494 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 22.5 ttmt -50.79 -54.77 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.0 -43.15 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -48.02 -55.9 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -59.52 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.48 HG23 ' NE1' ' A' ' 65' ' ' TRP . 38.1 m -40.12 -52.87 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.45 -47.42 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.96 -47.05 88.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.47 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.59 97.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.39 110.77 0.56 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -64.38 126.42 27.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.12 116.36 9.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.7 27.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.258 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 t -143.26 157.02 44.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.4 m -57.91 153.59 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -77.18 -43.95 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t 42.5 42.11 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 -168.12 13.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -105.13 154.07 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.64 -47.35 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.9 95.12 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.61 166.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 126.8 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -84.0 92.15 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 p -134.29 -37.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -152.18 139.36 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -129.66 44.71 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -54.08 147.81 12.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -45.5 -53.54 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -107.94 167.02 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 ttp180 -154.66 110.71 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.7 p -107.9 141.32 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.8 163.29 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.6 m-85 -75.18 106.96 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.5 113.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -40.95 97.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.1 m -147.43 143.89 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.47 70.23 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -119.93 -54.77 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.97 157.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -121.93 145.57 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -80.25 140.09 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.494 ' HZ3' ' CD2' ' A' ' 57' ' ' HIS . 2.4 mmmm -100.91 29.31 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -131.9 -53.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.44 -2.9 32.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m 56.0 50.69 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -127.64 171.77 11.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 m -95.59 107.58 19.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 26.8 mt -52.37 121.56 21.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.34 68.17 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -70.82 148.01 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 63.13 41.81 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD23 ' CD1' ' A' ' 61' ' ' PHE . 20.4 tp -78.83 107.87 11.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -130.84 156.17 45.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.6 mtp -114.68 162.61 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.476 ' HB2' ' CE3' ' A' ' 58' ' ' TRP . . . -129.43 148.37 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.49 HD12 ' CE2' ' A' ' 59' ' ' TYR . 48.8 mt -130.22 146.27 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 mmt -101.44 113.81 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.553 HG23 ' CE1' ' A' ' 57' ' ' HIS . 14.9 m -131.7 173.29 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -88.42 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -98.15 128.32 33.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.71 7.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.336 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 mtp -91.79 -49.63 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.523 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 4.6 p90 -127.62 166.46 18.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -78.25 46.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.523 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -136.51 -158.2 7.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -131.04 144.65 51.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 29.0 m -118.33 140.0 27.55 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.553 ' CE1' HG23 ' A' ' 46' ' ' VAL . 22.9 m170 -100.02 111.99 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 43' ' ' ALA . 86.5 m95 -86.38 140.11 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.49 ' CE2' HD12 ' A' ' 44' ' ' ILE . 68.0 m-85 -143.81 137.62 28.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -58.46 149.93 23.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.4 t80 -43.17 -34.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -90.43 -51.13 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 69.8 m -47.65 -47.74 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.481 ' CZ ' HD13 ' A' ' 71' ' ' ILE . 26.4 t80 -48.8 -31.1 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.3 m95 -88.46 -28.27 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -57.0 -50.81 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 69' ' ' HIS . 13.5 m -55.62 -39.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.07 47.05 0.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.468 ' CD2' HG23 ' A' ' 67' ' ' VAL . 4.5 m-70 -103.56 83.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -64.0 149.69 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.486 HD11 ' CH2' ' A' ' 65' ' ' TRP . 32.9 mt -138.17 117.87 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -65.42 -65.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -125.48 90.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -18.04 37.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.323 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.52 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.3 p-10 -68.56 -27.09 65.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.1 m -116.08 -29.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -83.07 -39.03 21.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.62 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 142.69 39.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.17 -38.71 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 16.3 t80 -38.31 -55.34 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 p -56.23 -37.57 69.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 80' ' ' GLY . 25.7 mt-10 -64.21 -39.78 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.0 mt -46.68 169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' TRP . 18.4 mtm105 -86.57 151.38 23.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ARG . 76.9 t90 -34.61 -59.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.29 -65.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.46 -56.31 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -39.23 -45.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.16 -43.16 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.425 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.9 ttmt -54.1 -46.65 72.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.5 t -65.59 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -58.15 -67.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -52.93 -59.6 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.5 m -44.86 -54.3 6.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.29 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.07 -37.65 69.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.74 11.94 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.81 63.41 1.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.24 -112.85 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.1 p -82.26 144.54 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.1 -129.27 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.53 53.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -84.96 166.53 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -168.23 152.72 6.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -161.19 159.2 28.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -48.64 115.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.35 161.67 33.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -82.1 135.26 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -87.6 42.17 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 -62.28 2.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 mtm -62.84 142.17 58.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -112.42 109.56 19.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' ALA . 47.9 mm-40 -36.61 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.9 p -46.96 -44.3 19.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -57.82 148.67 24.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.02 42.04 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.413 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 26.2 mmtm -75.13 125.97 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.19 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -110.98 165.15 12.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -157.92 107.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.437 ' CG2' HD11 ' A' ' 40' ' ' LEU . 7.8 p -100.54 136.43 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -170.13 165.2 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.2 m-85 -73.11 108.56 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.44 111.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -48.14 79.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.4 p -142.78 161.24 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.13 43.03 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -115.03 41.17 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.45 123.37 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.5 p -98.63 125.41 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.16 135.28 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 48.8 mmtt -98.72 32.04 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -131.6 -50.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.75 -6.07 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 t 60.47 48.95 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -126.1 172.32 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.2 p -93.77 116.14 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.9 mt -68.14 127.94 93.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.05 47.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 23.4 ttpt -86.79 150.12 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 38.5 t70 64.32 42.04 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 p -128.25 158.65 37.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.542 HD22 ' CE1' ' A' ' 61' ' ' PHE . 39.8 tp -81.11 115.4 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -135.94 165.17 26.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.453 ' HG3' ' CD2' ' A' ' 64' ' ' PHE . 1.7 mmt -116.93 169.69 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.538 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . . . -136.64 152.83 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.549 HD11 ' CD2' ' A' ' 59' ' ' TYR . 77.3 mt -135.54 135.53 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mmt -93.33 103.02 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.6 170.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -96.52 126.86 42.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 130.93 72.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -14.76 36.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.351 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.3 mmm -79.21 -52.7 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -122.83 165.4 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -78.65 45.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.75 -162.36 10.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -132.91 145.1 50.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.58 138.34 31.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 123.31 9.98 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -105.67 113.0 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.538 ' CZ3' ' HB3' ' A' ' 43' ' ' ALA . 81.2 m95 -86.49 131.35 34.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.549 ' CD2' HD11 ' A' ' 44' ' ' ILE . 60.1 m-85 -132.2 133.68 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -49.51 148.23 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CE1' HD22 ' A' ' 40' ' ' LEU . 33.7 t80 -42.54 -33.39 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.0 p -93.01 -54.14 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 66' ' ' LYS . 97.3 m -45.72 -51.93 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.453 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 27.1 t80 -41.7 -34.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.1 m95 -85.31 -33.7 22.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 63' ' ' CYS . 20.1 mttp -54.19 -51.42 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -45.84 -36.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.91 40.19 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -117.04 86.11 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.322 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -83.87 150.74 25.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 96' ' ' ALA . 21.7 mt -134.35 120.89 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.76 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.483 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -125.65 86.64 57.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.5 33.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.557 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.9 p-10 -62.56 -38.8 91.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.475 HG21 ' N ' ' A' ' 77' ' ' GLU . 30.5 m -106.14 -43.53 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.475 ' N ' HG21 ' A' ' 76' ' ' VAL . 22.3 mt-10 -65.2 -52.44 54.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.8 t -88.61 116.78 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.413 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 6.9 t0 -68.51 164.83 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -40.47 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.557 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 2.5 t80 -39.59 -43.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -58.63 -42.19 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' GLY . 35.9 mt-10 -61.19 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 47.5 mt -47.05 148.34 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -63.19 179.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.495 ' CH2' ' HG3' ' A' ' 90' ' ' GLN . 64.5 t90 -64.03 -52.0 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -47.89 -60.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.9 m-20 -50.47 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' ASP . 41.7 mt-30 -35.98 -54.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.495 ' HG3' ' CH2' ' A' ' 86' ' ' TRP . 7.6 mm100 -59.63 -42.11 91.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.488 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 18.0 ttmm -58.51 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.95 -43.19 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -48.03 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.54 -52.72 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.3 m -45.63 -50.71 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 71' ' ' ILE . . . -50.01 -50.74 46.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.27 75.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.42 -63.56 3.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.65 -64.37 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -92.5 179.35 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.63 -130.77 6.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 5.49 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.8 m -113.14 161.41 17.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.7 m -97.43 -44.09 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -168.65 162.16 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -166.5 165.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.65 -172.82 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -133.64 146.56 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -108.1 175.79 5.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.56 68.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mtp -146.28 167.0 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.86 172.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.01 93.67 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 p -113.98 -43.39 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 m -91.72 93.97 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.26 11.9 15.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.55 177.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -114.42 -45.32 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -103.03 158.62 16.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -150.1 107.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.64 138.26 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -175.25 171.98 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.6 m-85 -74.53 102.59 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.86 127.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -46.18 78.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -148.99 177.28 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.52 44.37 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -110.19 29.45 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.22 139.9 53.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.4 p -108.72 147.92 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -91.48 132.31 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 1.4 mmmp? -98.07 33.27 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -132.58 -51.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.4 p -113.06 11.92 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t 47.0 55.03 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 18.9 mt-10 -129.79 172.9 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.3 m -97.49 131.25 44.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.0 mt -77.58 128.3 80.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.94 63.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 21.2 ttpt -73.38 150.45 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.2 m-20 57.03 44.73 22.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.9 p -129.32 147.96 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.2 tp -68.97 106.47 2.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' CZ ' ' HB1' ' A' ' 21' ' ' ALA . 20.9 ptt180 -128.3 171.91 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.4 mtp -127.22 166.14 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.557 ' HB3' ' CE3' ' A' ' 58' ' ' TRP . . . -138.64 150.21 46.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 69' ' ' HIS . 70.6 mt -128.83 138.34 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.46 ' N ' HG22 ' A' ' 44' ' ' ILE . 4.0 mmt -100.77 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.7 m -120.61 171.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -93.6 137.86 32.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -90.05 129.84 44.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.75 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 3.13 2.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -48.64 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -126.61 171.81 10.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.61 44.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.08 -162.48 10.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -131.22 160.3 35.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.411 HG22 ' NE2' ' A' ' 57' ' ' HIS . 29.6 m -135.73 135.63 22.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.26 7.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.379 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.411 ' NE2' HG22 ' A' ' 55' ' ' VAL . 20.4 m170 -107.08 109.14 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.557 ' CE3' ' HB3' ' A' ' 43' ' ' ALA . 89.5 m95 -86.12 131.44 34.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.515 ' CD2' HD11 ' A' ' 44' ' ' ILE . 66.0 m-85 -131.75 141.44 49.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' PHE . 23.4 m80 -58.71 140.23 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.521 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 39.0 t80 -35.56 -35.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.9 m -89.62 -56.56 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' LYS . 66.5 m -43.84 -53.78 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 4.8 t80 -38.46 -37.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.517 ' CE2' HG22 ' A' ' 95' ' ' THR . 72.2 m95 -83.59 -34.25 25.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 52.6 mmtt -53.77 -48.38 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 69' ' ' HIS . 17.2 m -54.52 -31.86 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.18 39.62 1.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.558 ' CD2' HG21 ' A' ' 67' ' ' VAL . 10.1 m-70 -99.42 89.45 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -75.71 133.04 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 64' ' ' PHE . 39.9 mt -117.48 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -52.24 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.09 86.71 53.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.712 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.42 ' CD ' HG23 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.74 -9.5 26.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 5.4 p-10 -70.27 -38.32 75.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.426 HG22 ' N ' ' A' ' 77' ' ' GLU . 21.5 m -112.2 -30.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' N ' HG22 ' A' ' 76' ' ' VAL . 47.2 mt-10 -71.56 -45.32 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.1 t -93.29 107.08 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -55.9 164.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.97 -36.55 2.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.514 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 2.8 t80 -34.29 -58.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.5 p -56.68 -38.44 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.0 mt-10 -65.07 -42.01 94.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -51.23 160.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -80.64 155.52 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -43.36 -52.79 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -48.02 -51.44 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -55.16 29.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -42.34 -50.53 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -61.97 -43.77 98.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.521 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 14.2 ttmm -54.67 -53.2 57.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.2 t -55.85 -57.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -39.89 -60.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -50.67 -39.66 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.517 HG22 ' CE2' ' A' ' 65' ' ' TRP . 32.2 m -69.45 -35.75 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.19 -48.72 64.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 6.9 pt-20 -57.31 -36.66 71.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.496 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . -79.99 12.4 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.33 71.47 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.61 102.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 m -105.5 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 104' ' ' SER . . . 95.75 -156.79 21.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' SER . 54.0 Cg_endo -69.81 11.4 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.454 ' H ' ' C ' ' A' ' 102' ' ' GLY . 90.1 p -43.18 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.6 m -41.25 124.57 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 p -108.28 129.11 55.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -140.9 124.95 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.6 128.56 9.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -62.09 110.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -118.12 122.11 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.55 105.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 tpt -100.1 163.55 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 165.05 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -147.21 135.76 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 m -87.72 82.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -165.55 107.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.1 42.52 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -89.07 172.89 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -101.88 -45.97 5.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -115.07 169.04 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 38.5 ttp180 -159.53 111.6 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 79' ' ' ASP . 12.9 p -104.07 141.73 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.09 153.79 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.9 m-85 -71.48 104.18 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.53 141.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -88.69 -38.57 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.448 ' HB3' ' CD ' ' A' ' 25' ' ' ARG . 15.9 m -131.09 171.37 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.35 48.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 3.3 mpt_? -108.03 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -33.62 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -115.75 163.3 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.8 t -101.04 136.34 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 20.1 mmtp -99.34 31.92 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -132.71 -54.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.9 p -109.32 14.36 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m 43.83 55.01 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.3 mt-10 -125.44 170.43 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 m -94.94 126.14 40.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mt -75.23 127.16 86.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.744 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.43 27.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.88 155.9 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 50.71 40.36 24.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -117.11 143.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.18 112.75 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -134.24 162.51 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -114.54 167.84 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.07 148.31 52.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.571 HD13 ' CD2' ' A' ' 69' ' ' HIS . 66.0 mt -131.0 138.7 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.01 94.11 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 29.6 m -113.46 165.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -91.78 143.32 26.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -95.34 133.87 25.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.79 2.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.5 mmm -100.39 -47.62 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -124.26 172.01 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.6 44.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.6 -161.07 10.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -132.5 142.33 49.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.65 138.52 31.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 123.13 9.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 14.4 m170 -108.4 116.45 31.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 57.9 m95 -91.45 127.97 37.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.55 ' CE2' HD12 ' A' ' 44' ' ' ILE . 72.2 m-85 -125.92 141.57 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' PHE . 17.3 m80 -55.54 140.29 41.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 32.2 t80 -35.76 -35.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' HIS . 45.3 m -90.83 -57.11 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.8 m -45.15 -49.8 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -41.45 -36.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 67.9 m95 -84.31 -35.33 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -52.58 -50.18 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.448 HG22 ' CD2' ' A' ' 69' ' ' HIS . 20.8 m -52.71 -34.68 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' HIS . . . 128.07 -40.62 1.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.571 ' CD2' HD13 ' A' ' 44' ' ' ILE . 78.3 m-70 -33.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -103.1 160.38 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.414 HD11 ' CG2' ' A' ' 78' ' ' VAL . 81.0 mt -140.86 125.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -80.26 -54.91 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -126.66 85.99 59.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.23 34.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.567 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 14.0 t0 -50.89 -43.47 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.0 m -104.38 -41.27 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -63.04 -59.0 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG2' HD11 ' A' ' 71' ' ' ILE . 61.2 t -79.16 130.26 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.432 ' O ' ' CG1' ' A' ' 18' ' ' VAL . 25.3 t0 -79.21 166.71 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.67 -35.79 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 54.6 t80 -35.33 -48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.6 p -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -66.2 -40.01 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.5 mt -53.5 167.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -86.65 151.91 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -41.05 -53.4 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -46.67 -60.35 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -47.77 76.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -46.29 -44.97 17.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.32 -45.46 76.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -53.68 -57.33 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -53.5 -47.24 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -56.2 -48.55 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.27 -56.67 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -51.42 -57.12 9.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.79 -46.89 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -44.94 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.97 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.91 -57.85 3.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.46 97.43 1.55 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' GLY . 51.1 p -38.68 123.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' SER . . . -38.12 108.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.17 69.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 74.7 m -155.43 157.29 36.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -47.46 110.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 p -161.8 150.73 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -65.35 -54.63 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.0 -171.92 34.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 p -171.63 151.43 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -135.75 175.26 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.95 114.3 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 mmm -115.19 167.66 10.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.84 152.71 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -120.79 148.4 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 m -92.89 -46.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -156.06 125.43 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.42 46.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -53.08 145.66 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.78 -46.73 77.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -109.92 155.54 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -149.0 108.07 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -107.5 134.99 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -164.54 173.88 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -82.03 111.76 18.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.61 131.37 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -82.31 -40.08 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -143.92 161.51 38.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.48 47.16 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -100.43 -45.42 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 154.28 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.3 p -125.16 173.29 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.16 140.7 46.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 32.8 mmtm -106.0 33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -133.99 -45.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.53 -13.93 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t 68.71 49.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -125.5 175.25 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -100.23 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 93.5 mt -65.67 124.68 88.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 147.42 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.295 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -67.68 154.29 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 57.45 42.55 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.3 p -126.63 156.13 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.443 HD21 ' CD1' ' A' ' 61' ' ' PHE . 30.0 tp -85.4 106.29 16.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -122.73 159.05 28.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.27 162.99 14.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -132.5 152.16 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.479 HD13 ' CD2' ' A' ' 69' ' ' HIS . 68.5 mt -138.54 128.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 mmt -83.9 93.34 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG21 ' CE1' ' A' ' 57' ' ' HIS . 17.2 m -114.09 167.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -122.3 145.58 44.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.67 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -78.61 -41.4 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' GLY . 2.8 t80 -74.06 -1.88 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER 34.83 32.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . -160.92 -155.18 7.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -107.04 139.75 40.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 m -135.79 140.25 33.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.54 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.2 m170 -94.67 114.03 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 80.8 m95 -86.59 142.15 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -140.79 141.63 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -60.13 147.55 39.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 44.9 t80 -42.57 -35.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -90.31 -53.65 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 91.3 m -47.72 -53.99 13.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -40.29 -33.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.558 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 49.1 m95 -87.71 -31.79 19.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' CYS . 42.9 mmtt -51.69 -52.14 50.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.4 HG22 ' CD2' ' A' ' 69' ' ' HIS . 6.4 m -53.28 -45.63 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.55 47.22 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' CD2' HD13 ' A' ' 44' ' ' ILE . 34.0 m-70 -107.77 49.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.424 ' HB3' ' NH2' ' A' ' 72' ' ' ARG . 3.1 m -49.18 163.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.461 HD13 ' CG2' ' A' ' 78' ' ' VAL . 65.0 mt -147.58 131.59 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.424 ' NH2' ' HB3' ' A' ' 70' ' ' SER . 0.0 OUTLIER -77.08 -59.09 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.484 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -125.51 85.39 58.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.585 0.707 . . . . 0.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.547 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 18.8 t0 -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -113.43 -43.7 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -63.4 -47.62 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' HD13 ' A' ' 71' ' ' ILE . 53.0 t -92.02 136.09 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -84.94 166.84 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.12 -37.3 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.547 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 51.8 t80 -34.83 -53.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -44.4 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' GLY . 11.5 mm-40 -62.18 -37.62 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.6 mt -56.71 159.63 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -75.86 161.29 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -48.68 -52.93 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -47.87 -63.13 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.6 m-20 -51.72 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ASP . 75.0 mt-30 -35.35 -48.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.58 -53.29 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 61' ' ' PHE . 7.6 ttmm -47.25 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 90.1 t -35.58 -54.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -52.3 -53.24 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -43.07 -53.93 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.546 HG22 ' CD1' ' A' ' 65' ' ' TRP . 30.1 m -63.56 -47.43 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.84 -48.72 59.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.17 99.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.07 82.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -50.85 99.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -95.03 99.06 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.06 167.69 24.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -8.2 23.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.2 p -62.22 129.34 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -139.13 127.52 22.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -158.33 177.74 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 m -142.72 176.9 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.44 91.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -91.02 88.9 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -134.94 146.99 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.44 49.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ptp -84.81 156.45 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.99 132.11 53.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 45.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t 48.45 41.92 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -148.47 129.76 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.62 49.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -81.93 167.9 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -97.59 -48.67 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.2 167.08 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -157.69 108.17 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 79' ' ' ASP . 13.6 p -101.66 140.76 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.45 171.11 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -79.87 112.22 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.06 125.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -70.38 -50.76 35.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 m -137.64 171.56 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.85 69.66 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -125.9 -45.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' CD1' ' A' ' 58' ' ' TRP . . . -55.63 143.85 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.4 m -111.58 178.9 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.1 t -117.35 130.05 56.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 41.0 mmtt -95.28 37.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HD3' ' CG1' ' A' ' 67' ' ' VAL . 12.4 tptt -134.99 -49.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -106.27 -18.16 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t 73.62 48.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.25 175.59 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.6 p -96.98 109.21 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 76.0 mt -54.85 120.91 31.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.16 68.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -76.74 151.07 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.43 39.25 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -124.97 160.93 27.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.82 104.2 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.496 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 22.8 ptt180 -122.64 160.19 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.643 ' CE ' ' CE2' ' A' ' 64' ' ' PHE . 1.2 mmt -113.05 169.91 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.56 148.85 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.418 HD12 ' CE2' ' A' ' 59' ' ' TYR . 83.8 mt -134.7 127.5 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.439 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 2.7 mmt -88.8 101.94 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.485 HG21 ' CE1' ' A' ' 57' ' ' HIS . 31.2 m -122.61 169.68 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 10.4 tm0? -98.18 108.01 20.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.435 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 5.9 t -78.98 133.58 61.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.74 37.57 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.0 mtm -90.72 -45.87 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -78.35 166.01 23.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -97.32 41.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.02 -134.88 2.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -111.04 147.21 35.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 57' ' ' HIS . 33.2 m -127.63 135.18 27.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 117.73 5.26 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.543 ' CD2' HG23 ' A' ' 55' ' ' VAL . 24.4 m170 -99.33 114.05 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.56 ' CD1' ' HB2' ' A' ' 26' ' ' ALA . 94.7 m95 -86.34 123.7 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 58.5 m-85 -125.81 132.98 52.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -50.04 166.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.3 t80 -56.55 -40.93 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 m -86.84 -45.97 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.7 m -55.64 -45.16 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.643 ' CE2' ' CE ' ' A' ' 42' ' ' MET . 74.6 t80 -47.32 -31.76 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.4 m95 -91.61 -31.87 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -58.4 -52.05 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' ' HD3' ' A' ' 30' ' ' LYS . 24.2 m -40.56 -32.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 107.15 44.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -116.29 113.68 23.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -96.12 160.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 86.1 mt -147.12 127.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.521 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 17.6 mmt180 -78.86 -57.37 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.521 ' CD2' ' HB3' ' A' ' 72' ' ' ARG . 9.4 m-70 -125.07 89.62 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.95 27.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.549 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 39.5 t0 -64.91 -38.56 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -107.74 -38.08 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -64.43 -52.67 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.9 t -85.29 117.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' VAL . 43.8 t0 -75.97 134.88 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.38 -36.36 4.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.549 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 49.9 t80 -38.99 -47.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 -38.57 75.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -64.61 -42.07 95.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -45.38 155.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -63.24 167.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -60.43 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.7 -62.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.18 -54.28 8.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -40.68 -47.85 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 15.3 mt-30 -58.62 -40.19 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 17.3 ttmm -54.44 -51.61 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.53 -39.99 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 90' ' ' GLN . 19.6 mmmt -45.36 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.41 ' CE ' ' HA ' ' A' ' 91' ' ' LYS . 10.6 pttt -64.39 -55.61 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.4 m -40.83 -42.58 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.16 85.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.89 -44.14 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.18 87.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.29 40.91 8.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.57 129.58 5.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -65.84 95.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.87 -155.5 21.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.17 69.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.2 p -56.9 115.68 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -109.24 98.34 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -154.73 131.71 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -174.61 128.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 66.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -60.87 170.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m -91.13 156.94 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.78 166.05 12.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.7 mtt -46.3 147.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.24 128.51 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.05 145.01 37.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.7 m -65.69 102.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -159.07 161.22 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.65 41.67 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 163.11 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -95.09 -42.73 8.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -120.3 176.25 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -159.0 107.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 11.4 p -106.75 130.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.22 167.2 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 21' ' ' ALA . 41.9 m-85 -73.12 109.36 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.26 143.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -90.64 -44.06 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -149.45 170.89 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.56 40.65 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 5.0 ptp180 -99.16 -33.29 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.43 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -60.83 145.37 50.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 p -115.89 154.24 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -101.08 127.62 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 31.7 mmtm -90.21 17.44 7.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -114.84 -53.36 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.54 1.84 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t 52.57 49.49 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -123.45 171.72 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 m -97.19 102.21 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -48.26 128.32 12.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.33 66.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.31 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -71.28 145.32 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.33 50.79 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 48.7 p -135.86 144.74 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.61 116.08 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NH1' ' HB1' ' A' ' 26' ' ' ALA . 27.0 ptt180 -135.52 167.31 21.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.418 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 34.1 mtp -119.67 167.99 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.425 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.24 148.29 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.574 HD12 ' CD2' ' A' ' 69' ' ' HIS . 77.4 mt -131.89 123.97 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.09 93.94 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG21 ' CE1' ' A' ' 57' ' ' HIS . 27.5 m -115.98 177.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -96.29 135.88 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.6 t -82.93 129.2 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.97 13.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.5 mmm -91.59 -50.89 5.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.6 165.43 17.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -77.89 45.44 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.0 -162.98 10.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -125.72 152.75 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.0 m -138.57 135.52 18.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.72 2.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.535 ' CE1' HG21 ' A' ' 46' ' ' VAL . 20.2 m170 -90.26 112.69 24.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.425 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 87.9 m95 -86.3 128.21 34.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CE2' ' HB3' ' A' ' 57' ' ' HIS . 67.8 m-85 -131.29 135.38 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -52.94 149.8 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.513 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 22.9 t80 -43.43 -35.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -91.34 -55.91 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 64.2 m -40.18 -43.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.418 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 18.3 t80 -52.58 -40.79 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.5 m95 -85.07 15.49 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -106.4 -43.06 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 69' ' ' HIS . 15.4 m -59.67 -30.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.15 42.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.574 ' CD2' HD12 ' A' ' 44' ' ' ILE . 9.1 m-70 -103.55 96.15 6.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.0 p -74.3 152.18 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 84.7 mt -146.22 121.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.17 -69.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -118.74 93.5 46.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -12.45 32.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 7.1 p-10 -65.27 -41.06 94.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.48 -38.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.05 -55.61 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 67.1 t -83.89 104.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.99 142.1 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 99.6 -41.47 2.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.503 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 12.9 t80 -38.15 -46.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -53.1 -42.47 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -61.19 -42.22 98.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.3 mt -46.74 142.59 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -60.89 163.9 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -49.79 -49.74 47.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -52.2 -60.96 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' GLN . 5.2 m-20 -52.76 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' ASP . 89.0 mt-30 -35.88 -45.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -67.42 -51.95 45.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -44.29 -52.02 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.29 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -47.25 -53.86 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -51.7 -55.15 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.8 m -55.41 -53.76 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.04 -50.01 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -53.43 -46.36 69.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.13 89.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.61 -65.49 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.55 76.11 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.6 t -171.79 120.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -124.02 95.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.79 159.53 53.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.374 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' PRO . 3.2 t 35.86 41.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.3 p -100.58 155.83 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -168.27 142.21 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 p -161.32 176.16 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 97.44 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -145.58 120.88 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -83.59 177.18 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.06 143.72 8.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mmm -107.32 122.22 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.99 85.12 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.82 97.38 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.7 m 44.91 42.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -148.8 128.87 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.97 42.23 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -68.4 171.56 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.3 -40.52 6.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -102.47 154.53 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -153.51 112.54 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' CG2' HD12 ' A' ' 40' ' ' LEU . 3.6 p -112.16 133.75 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.423 ' N ' HG23 ' A' ' 18' ' ' VAL . 18.8 pt-20 -163.87 168.88 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.0 m-85 -76.33 109.44 10.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -36.56 140.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -88.23 -46.43 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -141.5 144.73 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 72.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -125.42 -47.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.27 164.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -138.47 169.83 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 14.3 t -110.85 159.45 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 mmtp -110.63 -37.08 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HD2' ' CG1' ' A' ' 67' ' ' VAL . 0.0 OUTLIER -51.78 -37.75 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.02 -19.69 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 69.77 47.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.87 -176.14 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -98.55 134.57 41.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.26 129.26 56.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -82.49 149.59 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 57.04 44.5 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -127.21 155.98 42.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD12 ' CG2' ' A' ' 18' ' ' VAL . 50.8 tp -76.91 116.65 17.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -133.9 169.25 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 45.1 mtp -126.07 162.53 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.57 148.83 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.575 HD13 ' CD2' ' A' ' 59' ' ' TYR . 87.2 mt -136.21 128.0 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 mmt -87.97 98.28 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CE1' ' A' ' 57' ' ' HIS . 31.6 m -116.75 174.36 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.53 157.78 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -111.66 128.19 25.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.21 5.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -95.48 -44.59 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -130.42 173.06 11.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.12 45.93 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.8 -165.95 10.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -125.95 159.71 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.97 137.13 19.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.564 ' CE1' HG21 ' A' ' 46' ' ' VAL . 23.6 m170 -95.81 117.52 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -90.5 130.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.575 ' CD2' HD13 ' A' ' 44' ' ' ILE . 79.4 m-85 -129.57 137.11 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' PHE . 45.7 m80 -58.57 139.52 55.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 35.3 t80 -32.4 -40.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -84.85 -52.15 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.4 m -44.0 -42.14 5.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 7.5 t80 -54.93 -36.17 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.6 m95 -88.84 10.32 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -100.05 -44.97 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 30' ' ' LYS . 6.9 m -55.02 -45.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.18 43.79 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.513 ' CD2' HD12 ' A' ' 44' ' ' ILE . 14.8 m-70 -85.1 151.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.7 m -117.2 119.8 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 76.6 mt -127.35 110.06 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -71.2 -73.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.96 94.26 28.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.818 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.75 14.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.563 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 t0 -75.8 -36.57 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.39 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -69.68 -46.91 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.403 ' CG1' HG11 ' A' ' 18' ' ' VAL . 93.6 t -95.47 132.76 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.14 160.43 24.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 79.15 -41.87 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 30.4 t80 -34.36 -55.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -41.62 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.2 mt-10 -61.71 -41.41 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 89.1 mt -46.74 163.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.452 ' N ' ' HD2' ' A' ' 85' ' ' ARG . 2.0 mpt_? -78.34 157.05 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.515 ' CE3' ' N ' ' A' ' 87' ' ' ASP . 20.6 t90 -39.13 -58.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.515 ' N ' ' CE3' ' A' ' 86' ' ' TRP . 36.0 t70 -41.9 -62.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -54.49 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -44.86 -46.08 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -72.85 -42.71 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -62.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -42.73 -48.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -49.32 -66.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -39.56 -63.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.421 HG23 ' CE2' ' A' ' 65' ' ' TRP . 65.3 m -49.89 -53.15 27.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.22 -54.01 24.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.62 -50.44 60.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 40.19 72.63 0.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.86 140.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.7 p -96.99 115.79 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.3 126.89 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 147.89 63.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.8 p -149.46 120.59 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.1 m -96.07 128.02 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -103.8 91.08 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.2 p -120.75 136.22 54.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.57 79.52 0.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -79.31 44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -116.16 109.5 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 -67.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.4 mmm -69.94 127.5 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.55 144.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -96.57 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.6 m 48.07 41.7 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -141.51 112.74 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.43 41.36 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 38.4 mmtm -80.86 125.44 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.52 -43.31 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -123.23 163.44 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -152.59 108.94 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -101.82 120.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -149.46 173.09 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.475 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 15.2 m-85 -84.59 111.38 19.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.03 114.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -45.12 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -138.63 161.17 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.66 44.12 3.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -111.7 38.87 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.1 161.27 24.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -128.25 129.46 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.4 t -77.45 132.84 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -95.66 35.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -135.05 -52.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -100.82 -13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t 67.91 46.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -126.07 173.84 8.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 p -93.14 104.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.3 mt -52.48 130.24 44.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.46 67.66 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 36.1 ttpt -77.88 160.58 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 6.7 p-10 46.15 42.35 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.6 p -123.61 152.28 42.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.05 109.97 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.548 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 21.3 ptt180 -128.89 164.09 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.519 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -113.61 168.63 9.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.542 ' HB1' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.63 149.75 46.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.559 HD13 ' CD2' ' A' ' 69' ' ' HIS . 41.9 mt -138.82 122.06 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.41 101.5 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.8 m -119.95 170.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -98.48 118.1 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -75.6 128.19 84.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.73 15.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.2 mtp -83.54 -43.93 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 172.55 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -103.48 41.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.61 -154.16 14.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -101.2 154.32 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 57' ' ' HIS . 28.7 m -136.57 137.78 24.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 113.45 3.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.288 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 17.6 m170 -95.63 111.71 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 93.1 m95 -86.46 133.72 33.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 57' ' ' HIS . 97.3 m-85 -131.66 150.39 52.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.3 m80 -68.45 158.45 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.7 t80 -46.25 -39.9 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.427 ' HG ' ' N ' ' A' ' 63' ' ' CYS . 81.8 p -89.7 -50.3 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.427 ' N ' ' HG ' ' A' ' 62' ' ' SER . 69.7 m -46.0 -50.07 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.519 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 55.3 t80 -48.58 -34.12 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.2 m95 -85.43 -32.47 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -54.42 -52.19 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.1 m -48.4 -42.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 115.8 45.73 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' CD2' HD13 ' A' ' 44' ' ' ILE . 23.2 m-70 -106.63 94.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.6 m -82.24 151.77 26.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 90.5 mt -145.64 118.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -70.47 -58.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -117.67 86.86 24.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.25 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.56 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 7.3 p-10 -73.96 -42.65 60.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.36 -32.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.4 t -81.37 114.03 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.44 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 22.0 t0 -68.62 111.25 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 135.43 -37.74 1.88 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.56 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 59.5 t80 -34.79 -49.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -63.34 -40.81 98.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' GLY . 39.9 mt-10 -66.0 -40.78 91.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.475 HD23 ' CZ ' ' A' ' 20' ' ' TYR . 95.5 mt -52.04 164.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -73.88 165.48 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -58.81 -49.74 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -58.52 -61.78 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -46.12 -51.61 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.4 -43.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -64.22 -42.07 96.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -53.8 -43.78 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.01 -40.7 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -45.1 -57.48 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' CG ' ' H ' ' A' ' 95' ' ' THR . 0.0 OUTLIER -67.19 -59.4 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.468 HG23 ' NE1' ' A' ' 65' ' ' TRP . 31.5 m -39.21 -46.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.23 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.51 -33.54 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.8 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.46 46.25 1.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.43 130.28 8.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.2 p -93.32 163.41 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.54 152.74 24.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' SER . 36.0 p -83.4 42.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 49.0 p -37.23 151.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -160.07 140.58 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -129.31 172.59 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.34 -89.16 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m 55.82 42.03 29.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -131.24 165.4 23.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 165.54 20.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -106.21 143.86 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.62 97.64 11.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -97.26 117.18 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 p -45.07 101.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -147.21 140.06 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 12.85 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -80.1 176.12 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -114.11 -42.27 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -109.19 156.83 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -148.08 109.85 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.428 ' CG1' HG11 ' A' ' 78' ' ' VAL . 7.7 p -102.98 132.33 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.85 149.94 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.8 m-85 -62.46 106.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -34.58 139.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.073 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -95.71 -41.83 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 p -134.02 141.34 47.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 45.19 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 25.7 ptt180 -102.86 -38.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.472 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -58.99 130.93 49.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 m -99.05 179.37 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.07 136.68 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.5 mmtt -98.38 31.08 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 8.9 tptp -130.48 -54.9 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.3 p -100.12 -17.59 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 71.19 54.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.58 173.61 11.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -95.65 115.4 27.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -67.47 130.6 93.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 158.79 55.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -78.0 156.71 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 52.02 41.75 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 p -119.61 157.15 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.18 106.42 14.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.402 ' NH1' ' HB3' ' A' ' 26' ' ' ALA . 37.6 ptt180 -130.81 166.89 19.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtp -121.29 160.86 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.56 151.34 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.552 HD12 ' CD2' ' A' ' 69' ' ' HIS . 59.1 mt -134.03 130.16 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mmt -86.94 103.54 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.567 HG23 ' CE1' ' A' ' 57' ' ' HIS . 21.9 m -121.62 174.55 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -108.94 124.5 50.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.5 t -86.48 135.0 36.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -26.61 27.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.377 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 mmt -89.88 -42.95 10.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.7 165.74 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -101.17 41.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.78 -155.1 18.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -99.71 153.58 18.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.28 136.6 27.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 112.92 3.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 46' ' ' VAL . 14.5 m170 -95.36 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -87.3 137.3 32.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.0 m-85 -140.45 136.4 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.22 144.06 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.3 t80 -39.07 -37.9 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 t -87.11 -52.82 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 62.6 m -45.89 -52.95 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 17.1 t80 -41.8 -37.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 72.1 m95 -80.66 -35.06 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -52.82 -50.64 63.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.554 HG23 ' CD2' ' A' ' 69' ' ' HIS . 16.3 m -54.35 -32.4 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.428 ' N ' HG22 ' A' ' 67' ' ' VAL . . . 107.95 41.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CD2' HG23 ' A' ' 67' ' ' VAL . 8.6 m-70 -101.55 87.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 p -75.4 148.49 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.6 mt -134.05 103.47 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.0 mmt180 -51.43 -60.17 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -129.26 95.03 31.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -4.8 14.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.552 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.5 t70 -78.25 -37.53 44.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -109.41 -28.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -72.41 -57.17 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 79' ' ' ASP . 84.7 t -74.67 137.04 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' N ' HG12 ' A' ' 78' ' ' VAL . 33.3 t0 -88.54 114.92 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.15 35.28 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.552 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 87.9 t80 -85.12 -55.72 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -50.24 -34.65 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 82.9 mt -47.9 142.22 5.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.56 155.31 33.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -40.98 -55.97 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -49.19 -45.65 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.99 -51.46 58.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.55 -45.25 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.44 -43.16 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -57.19 -55.85 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.0 t -51.91 -51.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.41 -62.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -48.38 -44.24 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.468 HG22 ' NE1' ' A' ' 65' ' ' TRP . 32.8 m -66.42 -35.33 80.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -50.51 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 9.8 pt-20 -56.91 -38.74 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . -73.13 -44.05 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.23 38.71 3.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.45 -125.63 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -59.08 103.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.01 148.97 19.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.66 2.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.0 p -69.27 116.49 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 t -139.95 117.19 11.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -143.99 117.57 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -131.96 173.0 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 47.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -90.65 93.75 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -52.65 151.4 4.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.74 71.44 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 ttt -76.08 139.3 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.08 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -129.01 152.45 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -85.2 -52.86 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 m -78.9 110.72 14.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -86.31 70.85 10.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.1 177.72 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -114.09 -44.7 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -102.62 166.94 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -154.89 149.72 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -148.24 126.19 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -160.66 163.88 32.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.8 m-85 -74.47 106.41 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.08 137.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -80.53 -41.48 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -151.6 172.88 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.07 70.57 1.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.12 -55.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.63 156.03 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 m -121.84 173.27 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 21.2 mmtp -90.99 15.01 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -113.87 -60.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -103.5 19.63 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' CYS . 3.7 t 38.11 54.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.431 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.1 mt-10 -123.01 -176.34 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -103.72 131.68 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -81.28 120.94 79.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.02 67.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 48.9 tttt -76.17 148.45 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.7 t70 64.35 43.16 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.8 p -130.13 150.84 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.97 112.05 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -131.46 170.22 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -124.05 173.94 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.459 ' HB3' ' CZ3' ' A' ' 58' ' ' TRP . . . -146.34 146.28 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 64' ' ' PHE . 3.8 mp -132.33 129.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -80.9 111.51 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -133.89 172.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.25 140.47 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -101.19 140.83 21.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -26.62 27.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.6 mmt -83.54 -45.44 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -84.34 171.44 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.26 40.68 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.98 -160.88 13.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -101.8 145.83 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -129.96 139.51 35.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.7 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -96.16 111.63 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.459 ' CZ3' ' HB3' ' A' ' 43' ' ' ALA . 89.3 m95 -86.13 143.59 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 64.7 m-85 -146.12 140.76 26.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -58.61 146.44 36.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.567 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 31.3 t80 -39.52 -34.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.4 p -91.36 -56.43 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 87.1 m -44.29 -41.41 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.555 ' CD2' HD12 ' A' ' 44' ' ' ILE . 50.3 t80 -55.0 -35.61 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 57.2 m95 -84.28 -33.26 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -55.25 -51.92 65.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.7 m -50.97 -45.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.12 36.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -91.29 45.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.325 . . . . 0.0 110.89 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.433 ' C ' HG13 ' A' ' 71' ' ' ILE . 24.5 m -49.08 150.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 HD11 ' CG2' ' A' ' 78' ' ' VAL . 61.5 mt -147.44 131.61 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -121.23 85.3 41.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.43 34.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.564 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.3 t70 -62.39 -33.56 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.45 -39.11 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -66.55 -46.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' CG2' HD11 ' A' ' 71' ' ' ILE . 55.1 t -93.77 125.12 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.24 153.37 34.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 92.76 -37.7 3.33 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 84.4 t80 -34.34 -55.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.365 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -51.88 -41.32 61.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' GLY . 37.2 mt-10 -61.32 -42.62 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.403 HD21 ' CZ ' ' A' ' 20' ' ' TYR . 94.9 mt -45.05 170.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.41 165.25 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -51.45 -50.24 60.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.64 -63.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.8 m-20 -50.52 -56.42 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -40.56 -46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -63.88 -38.63 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.567 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 19.9 ttmt -58.14 -53.1 62.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.95 -38.88 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.96 -67.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.56 -54.93 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 ' NE1' ' A' ' 65' ' ' TRP . 79.3 m -39.39 -45.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.43 64.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.26 -45.74 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.19 51.78 4.04 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.98 127.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -74.47 165.42 25.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.843 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.77 174.57 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.5 m -87.49 -49.87 6.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.1 m 62.3 43.2 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -113.56 153.96 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 p -155.63 152.24 28.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.49 162.89 26.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -145.38 145.33 31.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -121.46 158.1 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.15 -138.24 2.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.6 tpp -160.65 120.4 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.96 93.48 3.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -148.04 150.36 33.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -80.18 44.22 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -130.48 111.7 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.49 43.01 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -78.03 131.49 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.09 -46.18 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -122.61 170.51 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 47.1 ttt180 -157.83 108.17 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.4 p -103.29 128.54 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -158.71 169.59 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ALA . 28.5 m-85 -78.98 115.12 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -34.22 117.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.02 -45.39 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -141.13 172.2 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.46 43.15 2.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -103.92 -60.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.1 126.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.7 p -95.52 165.04 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.3 t -100.05 135.21 41.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.46 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 24.6 mmmt -99.04 32.74 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -132.66 -51.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 32.1 p -114.78 15.09 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 t 42.58 55.0 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.9 mt-10 -123.53 172.02 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.9 p -98.94 106.3 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -51.52 119.72 13.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.07 62.29 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -70.93 150.14 46.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 62.59 43.23 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 p -132.54 142.26 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.426 HD23 ' CD1' ' A' ' 61' ' ' PHE . 16.7 tp -68.14 116.3 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -132.9 173.33 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.465 ' HE1' ' CE2' ' A' ' 64' ' ' PHE . 1.7 mmt -126.25 168.59 13.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.412 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -139.53 113.14 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.3 mt -97.59 130.5 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.7 mmm -92.11 100.43 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 27.7 m -121.01 168.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -97.21 124.51 41.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 t -78.35 144.34 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -42.17 3.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.1 mmm -77.81 -43.91 29.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.93 172.29 12.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -117.34 40.82 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.74 -157.1 9.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -104.11 137.87 41.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.6 m -121.1 137.65 26.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.726 . . . . 0.0 111.146 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.403 ' CD2' HG23 ' A' ' 55' ' ' VAL . 21.4 m170 -105.64 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.412 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 88.6 m95 -86.62 128.32 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 52.8 m-85 -130.41 144.19 51.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -61.64 145.02 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 45.8 t80 -37.91 -33.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 98.7 p -93.14 -51.83 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 63.5 m -46.98 -45.62 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.465 ' CE2' ' HE1' ' A' ' 42' ' ' MET . 56.4 t80 -51.97 -33.59 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.9 m95 -83.71 -34.82 24.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -54.37 -51.4 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG21 ' CD2' ' A' ' 69' ' ' HIS . 3.5 m -52.9 -25.96 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.22 47.03 2.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.433 ' CD2' HG21 ' A' ' 67' ' ' VAL . 5.9 m-70 -109.52 50.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -46.57 163.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 96.3 mt -145.68 125.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -64.11 -62.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -130.01 91.4 39.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.64 37.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 42.8 t0 -58.76 -44.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.74 -29.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.98 -47.15 39.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.0 t -92.94 126.4 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.81 130.07 35.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 117.03 -37.19 3.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 78.7 t80 -37.76 -61.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.4 t -46.92 -42.3 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.813 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.0 -41.7 99.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 96.0 mt -49.48 153.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -64.91 173.35 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -61.77 -58.88 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -47.64 -53.44 14.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.76 -49.99 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -43.94 -44.8 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.72 -38.78 80.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -58.48 -57.72 11.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.37 -41.21 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -52.7 -70.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -50.83 -55.91 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -44.03 -47.1 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.09 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -52.59 -45.15 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.31 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.27 84.86 1.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 65' ' ' TRP . . . 73.47 128.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -121.96 94.74 4.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -178.18 102.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.6 t -79.49 83.67 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 t 44.05 44.44 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -129.7 157.45 42.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -62.79 155.2 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.62 47.63 2.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 m -89.74 105.97 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -103.08 176.66 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.63 90.22 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpp -121.06 95.14 4.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.77 168.69 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.06 90.38 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t 44.22 42.11 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -99.7 81.34 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.67 80.45 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -116.37 141.59 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.72 -44.94 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.93 154.44 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -155.09 107.3 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 p -100.21 127.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -148.43 177.19 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -92.57 104.06 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.17 130.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -81.57 -38.93 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 p -136.07 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.47 45.84 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 26' ' ' ALA . 67.5 mtp180 -101.22 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.809 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -34.53 136.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -106.62 168.11 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -99.64 137.54 37.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 20.0 mmmt -100.38 32.29 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -133.67 -52.02 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -108.66 4.78 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m 52.71 54.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.8 mt-10 -128.7 174.71 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -97.81 130.55 44.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.47 130.06 75.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.74 65.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -76.71 155.07 33.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 50.95 51.71 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -132.55 164.88 25.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.27 112.57 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' NH1' ' CB ' ' A' ' 26' ' ' ALA . 26.1 ptt180 -129.31 168.1 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 22.5 mtp -118.45 168.52 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -138.46 114.83 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 59' ' ' TYR . 70.5 mt -103.12 130.48 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.9 mmm -92.97 102.3 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG22 ' CE1' ' A' ' 57' ' ' HIS . 18.6 m -116.67 172.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -100.78 134.88 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.444 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 2.0 m -82.3 135.56 47.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -14.84 36.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mtm -79.02 -52.96 7.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.444 ' CE1' ' HB2' ' A' ' 48' ' ' SER . 1.7 p90 -122.67 160.47 25.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.92 46.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.0 -159.88 10.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -135.62 162.68 32.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 17.1 m -147.75 139.28 13.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.507 ' CE1' HG22 ' A' ' 46' ' ' VAL . 19.8 m170 -104.54 114.19 28.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -86.86 136.28 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' HD12 ' A' ' 44' ' ' ILE . 73.2 m-85 -132.62 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' SER . 19.5 m80 -73.65 133.88 43.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.6 t80 -34.0 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 60' ' ' HIS . 26.6 t -90.74 -54.79 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 58.7 m -45.28 -43.79 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 12.0 t80 -53.35 -33.6 54.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 54.3 m95 -87.84 16.66 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -108.25 -45.3 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.567 HG23 ' CD2' ' A' ' 69' ' ' HIS . 5.9 m -58.15 -35.2 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.34 43.82 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.567 ' CD2' HG23 ' A' ' 67' ' ' VAL . 20.4 m-70 -97.96 85.64 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 0.0 110.846 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 m -69.43 151.12 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.6 mt -144.89 116.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 72' ' ' ARG . 26.7 mtt180 -70.32 -56.35 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -127.18 92.29 44.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.21 2.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.564 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -84.05 -41.56 17.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 77' ' ' GLU . 21.0 m -108.9 -30.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' N ' HG21 ' A' ' 76' ' ' VAL . 23.5 mt-10 -76.74 -42.79 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 99.6 t -98.65 100.1 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.46 166.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 79.2 -42.42 2.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 71.3 t80 -37.06 -54.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -51.52 -42.54 61.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 80' ' ' GLY . 22.8 mt-10 -61.35 -41.68 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.6 mt -51.46 156.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -74.43 155.75 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -42.3 -51.45 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.66 -53.47 24.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.4 -49.91 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.545 ' HA ' ' CE1' ' A' ' 81' ' ' PHE . 61.1 mt-30 -43.39 -46.48 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.479 ' NE2' ' HZ1' ' A' ' 93' ' ' LYS . 59.6 mm-40 -67.5 -46.4 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -51.44 -47.49 63.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -42.5 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.479 ' HZ1' ' NE2' ' A' ' 90' ' ' GLN . 36.1 mtpt -56.6 -57.84 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -50.47 -62.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.8 m -51.82 -50.78 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.17 -55.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.98 -45.68 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.1 85.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.42 -49.73 2.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.03 142.57 15.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.3 p -112.22 102.42 10.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.3 151.85 28.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 86.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -157.54 152.38 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.8 m -40.89 103.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -101.77 155.88 17.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -154.07 108.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.53 131.14 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -162.93 148.39 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.7 m-85 -59.5 113.51 2.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . . . -35.91 143.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -95.11 -42.65 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 t -138.92 171.33 14.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.29 46.83 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -111.87 -42.78 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.49 129.89 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.6 p -98.84 163.92 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 t -113.31 139.22 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 16.5 mmmt -102.35 32.52 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HD2' HG13 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -132.2 -43.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.38 -4.69 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 m 56.88 52.45 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -128.82 173.99 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.0 p -98.98 104.49 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -49.55 127.07 17.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.04 61.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -77.69 141.73 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 67.52 39.55 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.427 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 90.8 p -122.59 146.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 tp -72.58 110.74 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 31.7 ptt180 -130.43 157.34 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.509 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 39.3 mtp -113.74 168.13 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.8 148.48 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.669 HD12 ' CD2' ' A' ' 59' ' ' TYR . 48.9 mt -136.9 133.14 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mmt -91.79 109.44 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 57' ' ' HIS . 12.4 m -125.3 158.15 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.68 112.99 25.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.842 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.45 139.55 35.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 114.03 3.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.7 m170 -100.61 113.39 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 81.5 m95 -86.57 132.2 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' HD12 ' A' ' 44' ' ' ILE . 62.0 m-85 -132.72 131.52 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -49.56 157.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 29.0 t80 -46.0 -36.72 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p -91.47 -51.99 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 64.5 m -42.67 -47.31 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 25.4 t80 -51.56 -35.57 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' HD12 ' A' ' 71' ' ' ILE . 56.0 m95 -84.66 -33.43 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . 29.8 mttt -53.76 -52.3 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG13 ' HD2' ' A' ' 30' ' ' LYS . 25.3 m -51.08 -35.55 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 42.89 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -104.17 83.45 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD12 ' CH2' ' A' ' 65' ' ' TRP . 28.5 mt -139.16 122.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -74.46 -64.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -116.02 83.3 12.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.9 15.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.1 t70 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 -39.43 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.31 -44.25 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 71' ' ' ILE . 63.3 t -97.12 122.17 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.41 164.91 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -39.04 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 27.0 t80 -34.81 -58.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -55.65 -38.93 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -64.58 -42.03 95.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.39 159.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -74.77 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -52.47 -54.74 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -46.5 -62.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.42 -54.39 17.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -44.08 -51.12 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -63.4 -43.36 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 32.8 tttt -55.65 -58.42 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.4 -39.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -60.5 -53.43 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -52.33 -42.26 63.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.464 HG21 ' NE1' ' A' ' 65' ' ' TRP . 20.9 m -69.09 -58.44 4.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 71' ' ' ILE . . . -41.29 -47.39 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.57 -47.08 85.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.78 0.324 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.402 ' HB2' HG22 ' A' ' 78' ' ' VAL . 72.5 m-85 -104.82 153.6 21.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -149.19 107.05 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 41' ' ' ARG . 13.7 p -106.41 123.21 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -158.42 173.06 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -78.87 113.75 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.68 132.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -76.84 -42.56 39.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -152.64 161.09 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.67 48.46 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -100.7 -47.67 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 152.22 23.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.6 m -117.05 173.14 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 41.0 t -105.62 138.11 42.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 50.7 mmtt -99.32 30.59 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 9.5 tptt -131.61 -53.29 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.3 p -110.89 15.11 21.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t 42.25 55.07 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 8.8 mm-40 -123.34 167.57 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.28 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG21 ' HD3' ' A' ' 41' ' ' ARG . 45.8 mt -50.75 126.98 25.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.666 0.746 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.57 65.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.93 141.51 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 68.96 42.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 p -128.53 159.4 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.11 119.58 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 18' ' ' VAL . 36.8 ptt180 -138.47 172.98 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.0 mtp -129.13 167.97 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -133.94 153.33 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.544 HD11 ' CE2' ' A' ' 64' ' ' PHE . 66.3 mt -140.68 127.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.35 108.12 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.459 HG21 ' CD2' ' A' ' 57' ' ' HIS . 16.9 m -126.66 170.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 6.6 tm0? -101.56 122.91 44.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.9 142.16 29.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 112.18 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' HG21 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -94.79 110.24 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 95.6 m95 -86.27 128.64 34.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.6 m-85 -128.24 150.06 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.8 m80 -69.02 139.94 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 46.5 t80 -34.02 -33.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.2 m -92.97 -54.99 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.2 m -45.97 -50.23 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 44' ' ' ILE . 8.5 t80 -44.63 -32.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 63.7 m95 -85.67 -34.97 21.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -52.71 -52.01 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -48.53 -37.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 45.52 0.99 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -110.04 87.07 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.408 ' C ' HG13 ' A' ' 71' ' ' ILE . 65.0 p -71.84 161.18 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 70' ' ' SER . 77.7 mt -147.08 114.91 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -60.08 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -125.19 89.19 53.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.56 34.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.4 p-10 -61.58 -41.73 97.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.02 -39.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.11 -44.7 94.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG22 ' HB2' ' A' ' 16' ' ' TYR . 58.6 t -95.43 127.25 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.27 152.21 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 90.65 -37.83 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 14.1 t80 -36.69 -48.85 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 t -56.69 -43.07 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 mt-10 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.4 mt -44.0 153.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -67.66 157.63 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -45.1 -59.53 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -49.89 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -51.28 -54.25 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -43.9 -48.7 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.96 -43.32 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.6 ttmt -56.03 -52.17 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.56 -47.18 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -59.08 -51.33 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -56.36 -49.1 75.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.9 m -61.52 -51.05 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.69 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -54.39 -45.28 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.32 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.776 ' HB2' HG22 ' A' ' 78' ' ' VAL . 39.5 m-85 -108.08 153.6 22.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -153.95 107.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 41' ' ' ARG . 11.0 p -100.12 142.77 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -171.36 161.0 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ALA . 35.3 m-85 -71.63 109.97 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -35.12 114.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -63.43 -37.58 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -152.68 154.71 35.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.09 62.05 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -131.61 39.24 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.11 134.9 36.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -103.48 168.5 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.9 t -107.89 139.37 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -104.64 35.16 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.821 ' HD3' HG13 ' A' ' 67' ' ' VAL . 10.2 tptp -133.66 -48.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -109.46 -7.5 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t 65.62 55.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.24 176.69 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -99.94 129.17 45.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.38 127.46 82.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.743 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.6 62.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -77.74 152.34 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.52 43.15 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 p -123.37 152.3 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.02 112.74 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.882 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.5 ptt180 -133.92 171.34 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.425 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -120.95 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -141.62 150.38 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.664 HG22 HG13 ' A' ' 46' ' ' VAL . 38.4 mt -137.08 135.51 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.3 mmt -93.2 94.75 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 44' ' ' ILE . 27.4 m -115.56 169.04 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.68 150.57 23.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.818 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.2 m -136.16 137.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 111.094 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' CE1' HG21 ' A' ' 46' ' ' VAL . 20.8 m170 -105.9 115.34 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 68.5 m95 -93.74 134.12 36.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CE1' HD12 ' A' ' 44' ' ' ILE . 87.2 m-85 -127.9 155.27 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.4 m80 -68.19 140.45 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 28.4 t80 -33.69 -37.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' HIS . 80.1 p -87.97 -55.83 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 93.3 m -45.05 -52.54 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD2' ' CB ' ' A' ' 42' ' ' MET . 41.0 t80 -43.86 -35.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 41.3 m95 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -53.97 -51.69 63.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.821 HG13 ' HD3' ' A' ' 30' ' ' LYS . 11.6 m -49.66 -43.89 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.69 48.04 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.37 96.18 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 m -81.7 139.38 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.623 HD13 HG21 ' A' ' 78' ' ' VAL . 46.1 mt -133.88 100.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -47.59 -62.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 4.4 m-70 -126.41 94.64 40.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.567 0.699 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.9 Cg_endo -69.75 -21.02 34.13 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.61 ' OD2' HG13 ' A' ' 76' ' ' VAL . 7.4 p-10 -57.57 -37.94 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.61 HG13 ' OD2' ' A' ' 75' ' ' ASP . 34.3 m -111.02 -45.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.519 ' N ' HG23 ' A' ' 76' ' ' VAL . 20.9 mt-10 -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.776 HG22 ' HB2' ' A' ' 16' ' ' TYR . 92.0 t -96.31 130.28 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.31 165.36 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.6 -37.46 2.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.526 ' HA ' HD12 ' A' ' 84' ' ' LEU . 14.8 t80 -38.28 -54.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.9 t -55.09 -43.01 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.13 -41.95 97.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 81' ' ' PHE . 52.3 mt -50.44 168.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -85.95 162.94 18.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -45.5 -53.03 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -51.19 -61.63 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -56.76 8.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -38.97 -43.78 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -70.56 -56.16 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -40.5 -51.8 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.86 -35.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -59.83 -66.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -49.38 -52.78 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.3 m -53.71 -57.16 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.94 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -43.06 -45.47 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -115.6 163.61 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -159.13 113.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.571 HG12 HG12 ' A' ' 78' ' ' VAL . 14.9 p -110.99 134.08 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.5 170.54 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.3 m-85 -75.48 104.79 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.84 122.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -48.71 68.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 t -137.44 158.8 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.62 43.57 3.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -100.35 -43.88 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.36 138.11 55.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 p -107.11 162.13 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -92.52 170.99 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 55.1 mmtt -120.11 -36.33 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -68.98 -34.47 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -118.59 -27.82 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t 72.8 49.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -118.82 176.71 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.7 p -94.06 103.41 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.8 125.59 47.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.32 47.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -65.21 148.25 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 43.28 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 p -127.74 148.45 50.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 61' ' ' PHE . 14.7 tp -73.46 106.97 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.5 ptt180 -122.89 161.36 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.518 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -115.25 160.04 20.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.51 131.96 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.793 HD12 ' CD2' ' A' ' 59' ' ' TYR . 54.4 mt -119.93 138.16 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.7 mmt -95.86 101.06 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.405 HG21 ' NE2' ' A' ' 57' ' ' HIS . 10.8 m -111.6 165.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -94.31 106.41 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.888 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -122.19 138.7 29.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -95.14 114.96 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.492 ' CE3' ' HD2' ' A' ' 41' ' ' ARG . 92.9 m95 -86.79 133.35 33.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 44' ' ' ILE . 70.9 m-85 -133.59 130.47 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -50.18 160.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 27.9 t80 -50.17 -35.79 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.1 p -93.0 -44.7 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 34.6 m -48.55 -51.37 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 20.3 t80 -47.34 -34.07 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 50.8 m95 -87.68 -33.65 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -53.35 -49.39 67.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.8 m -51.24 -34.62 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.9 43.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -99.49 119.96 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.0 p -99.61 153.37 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.604 HD13 ' CG2' ' A' ' 78' ' ' VAL . 96.6 mt -146.48 130.84 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -79.47 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 73.1 m-70 -128.73 90.92 44.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.7 Cg_endo -69.73 -16.35 37.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.515 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.1 p-10 -56.06 -37.17 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 77' ' ' GLU . 28.9 m -111.17 -39.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 76' ' ' VAL . 36.0 mt-10 -65.38 -56.87 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.604 ' CG2' HD13 ' A' ' 71' ' ' ILE . 91.6 t -82.06 106.18 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.26 160.83 4.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 86.68 -39.33 3.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.655 ' HA ' HD12 ' A' ' 84' ' ' LEU . 17.3 t80 -34.97 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.423 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 2.0 t -57.4 -41.5 80.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.7 mt-10 -61.95 -42.27 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 81' ' ' PHE . 24.5 mt -54.81 150.55 9.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -67.16 159.79 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -44.95 -51.39 9.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.59 -55.65 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.1 m-20 -58.3 -58.66 7.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 82' ' ' SER . 76.9 mt-30 -38.36 -46.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.1 -49.81 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -45.88 -60.21 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' LYS . 87.4 t -49.09 -60.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' VAL . 24.2 mtpp -36.27 -62.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -49.18 -52.14 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.6 m -53.97 -57.16 12.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.98 -46.69 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.76 -45.84 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.403 ' HB2' HG22 ' A' ' 78' ' ' VAL . 36.0 m-85 -113.87 153.34 29.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -149.84 107.52 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' ARG . 12.6 p -99.55 137.36 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -169.95 158.93 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.6 m-85 -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.33 141.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -87.0 -43.31 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -145.45 146.94 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.8 67.17 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -121.07 -40.42 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB1' ' CD1' ' A' ' 58' ' ' TRP . . . -65.71 122.88 18.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -83.25 171.38 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.37 135.21 42.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.7 mmtt -91.51 28.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.742 ' HD3' HG13 ' A' ' 67' ' ' VAL . 10.1 tptp -133.34 -54.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 28.7 p -109.36 15.31 23.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m 39.98 54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -120.34 174.64 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.7 p -100.28 99.73 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG21 ' HD3' ' A' ' 41' ' ' ARG . 96.9 mt -45.75 124.61 6.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.19 64.33 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 39.4 tttm -67.93 165.6 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 8.2 p-10 38.97 48.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 p -128.46 154.5 46.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.56 113.09 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.552 ' HD3' HG21 ' A' ' 35' ' ' ILE . 19.2 ptt180 -133.29 173.35 11.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.8 mtp -125.58 160.9 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -129.78 116.72 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 64' ' ' PHE . 86.6 mt -104.91 131.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 68.2 mmm -90.32 115.64 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.1 m -132.4 177.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -103.82 131.05 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.869 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG23 ' CD2' ' A' ' 57' ' ' HIS . 26.8 m -129.37 139.79 36.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.2 m170 -106.74 114.73 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 84.7 m95 -87.7 129.35 35.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 72.9 m-85 -128.36 149.64 50.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.5 m80 -70.85 140.28 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 23.7 t80 -36.22 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -93.09 -54.75 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 66.4 m -44.89 -48.36 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' HD11 ' A' ' 44' ' ' ILE . 11.6 t80 -47.3 -32.87 5.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 59.4 m95 -87.05 -31.35 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -55.34 -51.96 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.742 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.9 m -53.54 -38.09 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 47.92 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -102.25 84.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.401 ' C ' HG13 ' A' ' 71' ' ' ILE . 19.1 p -65.44 156.43 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 74.1 mt -146.42 120.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -62.44 -70.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -122.93 91.16 49.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HG3' ' CB ' ' A' ' 96' ' ' ALA . 53.6 Cg_endo -69.8 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.577 ' OD2' HG13 ' A' ' 76' ' ' VAL . 4.7 p-10 -72.91 -33.74 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' OD2' ' A' ' 75' ' ' ASP . 16.0 m -115.28 -28.31 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.67 -49.88 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 18' ' ' VAL . 90.7 t -84.94 105.71 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -55.41 160.39 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.93 -37.97 2.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 4.5 t80 -35.61 -52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.0 t -56.0 -40.56 73.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' GLY . 90.8 mt-10 -61.93 -42.79 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.08 157.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -74.69 161.9 29.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -41.59 -55.84 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -52.85 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.73 -46.01 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -52.15 -55.06 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.98 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -50.23 -42.78 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.62 -41.02 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.17 -42.39 85.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -72.18 -48.0 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -56.88 -50.1 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.401 ' CB ' ' HG3' ' A' ' 74' ' ' PRO . . . -52.57 -47.56 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -54.88 -47.31 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.431 ' HB2' HG22 ' A' ' 78' ' ' VAL . 64.1 m-85 -109.41 159.36 17.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -159.13 113.7 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 41' ' ' ARG . 11.9 p -109.27 135.41 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.81 153.96 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -62.37 114.82 3.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.28 128.97 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -79.34 -43.45 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -139.82 157.64 45.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.02 44.73 3.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -101.39 -45.58 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.43 145.37 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -112.17 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 39.3 t -106.85 142.7 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 65.0 mmtt -104.25 34.4 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 5.5 tptp -135.0 -54.36 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.52 -17.46 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t 72.29 46.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.07 173.98 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.7 p -90.94 127.04 36.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.49 127.8 89.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 150.22 67.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.301 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -74.48 152.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 t70 55.13 42.94 30.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 p -126.07 144.98 50.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 61' ' ' PHE . 26.0 tp -69.96 117.26 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.8 ptt180 -132.76 164.13 27.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 36.7 mtp -118.27 156.79 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -128.42 129.18 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.599 HD12 ' CE2' ' A' ' 59' ' ' TYR . 51.1 mt -114.51 132.59 63.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.68 98.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 17.0 m -106.43 176.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -111.05 111.15 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.854 -179.807 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 49.8 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.85 139.21 17.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.75 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.6 3.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -103.03 112.5 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 81.3 m95 -86.7 132.09 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CE2' HD12 ' A' ' 44' ' ' ILE . 80.0 m-85 -129.69 153.91 47.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -69.57 143.56 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.7 t80 -39.62 -31.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -93.92 -53.9 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 80.7 m -46.1 -48.68 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 21.3 t80 -46.92 -32.49 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.8 m95 -86.58 -32.39 20.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -54.13 -52.21 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -51.77 -41.03 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.52 41.86 0.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -106.76 97.13 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 t -87.85 158.42 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.539 HD13 HG21 ' A' ' 78' ' ' VAL . 26.6 mt -140.74 112.89 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.38 -55.84 29.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 55.3 m80 -131.37 93.27 29.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.5 Cg_endo -69.8 -10.72 29.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.282 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 3.4 t0 -69.85 -39.03 76.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.11 -37.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.04 -46.65 77.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.539 HG21 HD13 ' A' ' 71' ' ' ILE . 59.1 t -96.0 120.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 35.5 t0 -72.84 131.96 42.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 119.07 -38.38 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.598 ' HA ' HD12 ' A' ' 84' ' ' LEU . 78.8 t80 -35.9 -58.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.5 t -50.32 -44.79 54.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -61.68 -41.7 97.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 81' ' ' PHE . 89.9 mt -50.66 166.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -87.94 162.64 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -45.96 -57.51 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -43.22 -62.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.43 -57.58 10.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -38.62 -44.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -69.99 -45.75 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 16.5 ttmt -54.8 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.24 -42.53 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -49.93 -54.13 21.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -63.86 -58.61 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 m -45.43 -43.73 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.5 67.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.52 -45.56 84.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.545 ' HB2' HG22 ' A' ' 78' ' ' VAL . 24.5 m-85 -104.57 158.31 16.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -146.73 107.4 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 41' ' ' ARG . 5.3 p -103.08 123.62 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.76 169.37 24.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -72.62 137.56 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -56.4 146.44 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -96.78 -42.19 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -144.8 159.38 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 47.77 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' ALA . 77.3 mtp85 -113.5 -54.89 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' CB ' HH12 ' A' ' 41' ' ' ARG . . . -37.27 124.58 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -97.69 155.63 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.97 136.55 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 14.9 mmtp -96.85 28.72 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.8 -53.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 30.9 p -110.45 16.37 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 p 41.05 54.91 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 19.3 mt-10 -124.41 177.71 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -99.76 126.99 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.0 mt -75.32 126.95 87.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.25 47.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.41 149.0 49.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 57.16 43.86 23.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.429 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 79.1 p -128.14 145.54 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.5 114.16 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.8 ptt180 -132.63 164.26 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.1 mtp -117.52 162.47 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.591 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -135.06 155.84 50.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.744 HG22 HG13 ' A' ' 46' ' ' VAL . 53.5 mt -137.47 112.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 3.1 mmt -69.18 105.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.744 HG13 HG22 ' A' ' 44' ' ' ILE . 27.1 m -129.75 176.28 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -113.86 134.69 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 m -133.83 134.76 23.65 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.665 0.745 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.32 7.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 46' ' ' VAL . 21.0 m170 -103.49 112.05 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.591 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 74.8 m95 -86.32 145.56 26.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.9 m-85 -145.17 130.94 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' SER . 20.2 m80 -49.37 136.52 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 33.4 t80 -35.97 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' HIS . 23.1 p -93.06 -55.33 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.2 m -46.2 -40.43 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 4.8 t80 -53.64 -34.17 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.9 m95 -88.31 16.46 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -105.02 -47.49 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.26 -27.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.14 41.18 3.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -96.09 84.99 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.2 t -56.9 148.32 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 70' ' ' SER . 89.4 mt -149.39 118.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -65.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -131.06 98.47 18.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.22 35.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.528 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.5 t70 -56.24 -40.68 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.471 HG13 ' OD2' ' A' ' 75' ' ' ASP . 27.4 m -107.88 -32.27 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.33 -49.34 27.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.593 HG12 HG12 ' A' ' 18' ' ' VAL . 58.9 t -94.68 129.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.95 167.1 22.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.796 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.84 -34.99 2.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 28.5 t80 -38.86 -44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -61.88 -37.56 85.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.7 mt-10 -66.61 -41.42 88.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.2 mt -51.17 147.88 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.79 162.39 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -48.29 -54.47 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.45 -60.17 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.13 -48.58 53.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -47.75 -48.22 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.97 -43.76 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 22.5 ttmt -50.79 -54.77 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.0 -43.15 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -48.02 -55.9 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -59.52 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -40.12 -52.87 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.45 -47.42 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.96 -47.05 88.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -107.94 167.02 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 50.9 ttp180 -154.66 110.71 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.475 HG12 HG12 ' A' ' 78' ' ' VAL . 9.7 p -107.9 141.32 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.8 163.29 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.6 m-85 -75.18 106.96 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.5 113.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -40.95 97.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.408 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 20.1 m -147.43 143.89 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.47 70.23 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -119.93 -54.77 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.97 157.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -121.93 145.57 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -80.25 140.09 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 2.4 mmmm -100.91 29.31 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.663 ' HD3' HG13 ' A' ' 67' ' ' VAL . 16.4 tptt -131.9 -53.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.44 -2.9 32.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m 56.0 50.69 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -127.64 171.77 11.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 m -95.59 107.58 19.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.603 HG21 ' HD3' ' A' ' 41' ' ' ARG . 26.8 mt -52.37 121.56 21.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.34 68.17 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 23' ' ' SER . 31.4 ttmt -70.82 148.01 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 63.13 41.81 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.4 tp -78.83 107.87 11.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.603 ' HD3' HG21 ' A' ' 35' ' ' ILE . 32.6 ptt180 -130.84 156.17 45.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.6 mtp -114.68 162.61 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -129.43 148.37 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 59' ' ' TYR . 48.8 mt -130.22 146.27 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 mmt -101.44 113.81 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.731 HG21 ' CE1' ' A' ' 57' ' ' HIS . 14.9 m -131.7 173.29 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -88.42 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.469 ' HB2' HG13 ' A' ' 55' ' ' VAL . 1.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.2 mttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' A' ' 48' ' ' SER . 29.0 m -118.33 140.0 27.55 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.731 ' CE1' HG21 ' A' ' 46' ' ' VAL . 22.9 m170 -100.02 111.99 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 86.5 m95 -86.38 140.11 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.542 ' CD2' HD12 ' A' ' 44' ' ' ILE . 68.0 m-85 -143.81 137.62 28.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -58.46 149.93 23.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.4 t80 -43.17 -34.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -90.43 -51.13 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 69.8 m -47.65 -47.74 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.733 ' CE1' HD11 ' A' ' 71' ' ' ILE . 26.4 t80 -48.8 -31.1 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.3 m95 -88.46 -28.27 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -57.0 -50.81 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.663 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.5 m -55.62 -39.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.07 47.05 0.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -103.56 83.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -64.0 149.69 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 64' ' ' PHE . 32.9 mt -138.17 117.87 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -65.42 -65.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -125.48 90.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HA ' HG23 ' A' ' 78' ' ' VAL . 53.6 Cg_endo -69.77 -18.04 37.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.6 ' OD2' HG13 ' A' ' 76' ' ' VAL . 1.3 p-10 -68.56 -27.09 65.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.6 HG13 ' OD2' ' A' ' 75' ' ' ASP . 13.1 m -116.08 -29.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -83.07 -39.03 21.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.646 HG23 ' HA ' ' A' ' 74' ' ' PRO . 21.5 t -100.62 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 142.69 39.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.17 -38.71 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 16.3 t80 -38.31 -55.34 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 p -56.23 -37.57 69.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' GLY . 25.7 mt-10 -64.21 -39.78 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.0 mt -46.68 169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' TRP . 18.4 mtm105 -86.57 151.38 23.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ARG . 76.9 t90 -34.61 -59.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.29 -65.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.46 -56.31 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -39.23 -45.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.16 -43.16 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.9 ttmt -54.1 -46.65 72.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.403 HG22 ' HE1' ' A' ' 61' ' ' PHE . 85.5 t -65.59 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -58.15 -67.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -52.93 -59.6 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.5 m -44.86 -54.3 6.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.29 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.07 -37.65 69.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -110.98 165.15 12.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -157.92 107.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 41' ' ' ARG . 7.8 p -100.54 136.43 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -170.13 165.2 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.2 m-85 -73.11 108.56 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.44 111.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -48.14 79.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.4 p -142.78 161.24 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.13 43.03 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -115.03 41.17 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.45 123.37 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.5 p -98.63 125.41 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.16 135.28 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 48.8 mmtt -98.72 32.04 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -131.6 -50.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.75 -6.07 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 t 60.47 48.95 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -126.1 172.32 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.2 p -93.77 116.14 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.9 mt -68.14 127.94 93.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.05 47.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 23.4 ttpt -86.79 150.12 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 38.5 t70 64.32 42.04 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 p -128.25 158.65 37.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -81.11 115.4 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 18' ' ' VAL . 30.5 ptt180 -135.94 165.17 26.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.531 ' SD ' HG11 ' A' ' 78' ' ' VAL . 1.7 mmt -116.93 169.69 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -136.64 152.83 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.511 HD12 ' CE2' ' A' ' 59' ' ' TYR . 77.3 mt -135.54 135.53 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mmt -93.33 103.02 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.6 170.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -96.52 126.86 42.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.7 mttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.58 138.34 31.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 123.31 9.98 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -105.67 113.0 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 81.2 m95 -86.49 131.35 34.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 60.1 m-85 -132.2 133.68 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -49.51 148.23 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 33.7 t80 -42.54 -33.39 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.0 p -93.01 -54.14 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 66' ' ' LYS . 97.3 m -45.72 -51.93 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 27.1 t80 -41.7 -34.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.1 m95 -85.31 -33.7 22.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 63' ' ' CYS . 20.1 mttp -54.19 -51.42 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -45.84 -36.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.91 40.19 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -117.04 86.11 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.322 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -83.87 150.74 25.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.971 ' O ' ' HB1' ' A' ' 96' ' ' ALA . 21.7 mt -134.35 120.89 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.76 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.65 86.64 57.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.5 33.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.565 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.9 p-10 -62.56 -38.8 91.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 77' ' ' GLU . 30.5 m -106.14 -43.53 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 76' ' ' VAL . 22.3 mt-10 -65.2 -52.44 54.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.807 ' CG2' HD13 ' A' ' 71' ' ' ILE . 57.8 t -88.61 116.78 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -68.51 164.83 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -40.47 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 2.5 t80 -39.59 -43.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -58.63 -42.19 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' GLY . 35.9 mt-10 -61.19 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 81' ' ' PHE . 47.5 mt -47.05 148.34 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -63.19 179.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.51 ' CH2' ' HG3' ' A' ' 90' ' ' GLN . 64.5 t90 -64.03 -52.0 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -47.89 -60.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.9 m-20 -50.47 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' ASP . 41.7 mt-30 -35.98 -54.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.51 ' HG3' ' CH2' ' A' ' 86' ' ' TRP . 7.6 mm100 -59.63 -42.11 91.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 18.0 ttmm -58.51 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.95 -43.19 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -48.03 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.54 -52.72 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.3 m -45.63 -50.71 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.971 ' HB1' ' O ' ' A' ' 71' ' ' ILE . . . -50.01 -50.74 46.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.27 75.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.531 ' HB2' HG22 ' A' ' 78' ' ' VAL . 48.8 m-85 -103.03 158.62 16.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -150.1 107.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.701 HG12 HG12 ' A' ' 78' ' ' VAL . 9.3 p -107.64 138.26 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -175.25 171.98 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.6 m-85 -74.53 102.59 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.86 127.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -46.18 78.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -148.99 177.28 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.52 44.37 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -110.19 29.45 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.22 139.9 53.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.4 p -108.72 147.92 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -91.48 132.31 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 1.4 mmmp? -98.07 33.27 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HD3' HG13 ' A' ' 67' ' ' VAL . 23.2 tptt -132.58 -51.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.4 p -113.06 11.92 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t 47.0 55.03 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 18.9 mt-10 -129.79 172.9 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.3 m -97.49 131.25 44.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.541 HG21 ' HD3' ' A' ' 41' ' ' ARG . 21.0 mt -77.58 128.3 80.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.94 63.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 21.2 ttpt -73.38 150.45 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.2 m-20 57.03 44.73 22.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.9 p -129.32 147.96 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.2 tp -68.97 106.47 2.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 18' ' ' VAL . 20.9 ptt180 -128.3 171.91 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.4 mtp -127.22 166.14 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -138.64 150.21 46.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.625 HD13 ' CE1' ' A' ' 69' ' ' HIS . 70.6 mt -128.83 138.34 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -100.77 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 HG22 ' A' ' 44' ' ' ILE . 27.7 m -120.61 171.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -93.6 137.86 32.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.75 . . . . 0.0 110.884 -179.836 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 57' ' ' HIS . 29.6 m -135.73 135.63 22.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.26 7.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.379 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 55' ' ' VAL . 20.4 m170 -107.08 109.14 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.663 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 89.5 m95 -86.12 131.44 34.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -131.75 141.44 49.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' PHE . 23.4 m80 -58.71 140.23 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 39.0 t80 -35.56 -35.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.9 m -89.62 -56.56 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' LYS . 66.5 m -43.84 -53.78 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE1' HD11 ' A' ' 71' ' ' ILE . 4.8 t80 -38.46 -37.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.917 ' CH2' HD12 ' A' ' 71' ' ' ILE . 72.2 m95 -83.59 -34.25 25.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 52.6 mmtt -53.77 -48.38 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.579 HG13 ' HD3' ' A' ' 30' ' ' LYS . 17.2 m -54.52 -31.86 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.18 39.62 1.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.625 ' CE1' HD13 ' A' ' 44' ' ' ILE . 5.0 m170 -99.42 89.45 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -75.71 133.04 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.917 HD12 ' CH2' ' A' ' 65' ' ' TRP . 39.9 mt -117.48 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -52.24 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.09 86.71 53.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.712 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.588 ' HA ' HG23 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.74 -9.5 26.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.523 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 5.4 p-10 -70.27 -38.32 75.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG13 ' OD2' ' A' ' 75' ' ' ASP . 21.5 m -112.2 -30.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.56 -45.32 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.701 HG12 HG12 ' A' ' 18' ' ' VAL . 39.1 t -93.29 107.08 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' HG12 ' A' ' 18' ' ' VAL . 33.2 t0 -55.9 164.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.97 -36.55 2.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 2.8 t80 -34.29 -58.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.5 p -56.68 -38.44 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.0 mt-10 -65.07 -42.01 94.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -51.23 160.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -80.64 155.52 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -43.36 -52.79 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -48.02 -51.44 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -55.16 29.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -42.34 -50.53 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -61.97 -43.77 98.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.537 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 14.2 ttmm -54.67 -53.2 57.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' A' ' 61' ' ' PHE . 97.2 t -55.85 -57.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -39.89 -60.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -50.67 -39.66 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.533 HG21 ' NE1' ' A' ' 65' ' ' TRP . 32.2 m -69.45 -35.75 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.19 -48.72 64.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 6.9 pt-20 -57.31 -36.66 71.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.557 ' HB2' HG22 ' A' ' 78' ' ' VAL . 63.6 m-85 -115.07 169.04 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 38.5 ttp180 -159.53 111.6 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 79' ' ' ASP . 12.9 p -104.07 141.73 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.09 153.79 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.9 m-85 -71.48 104.18 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.53 141.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -88.69 -38.57 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 25' ' ' ARG . 15.9 m -131.09 171.37 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.35 48.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 3.3 mpt_? -108.03 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -33.62 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -115.75 163.3 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 42.8 t -101.04 136.34 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 20.1 mmtp -99.34 31.92 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 7.4 tptp -132.71 -54.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.9 p -109.32 14.36 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m 43.83 55.01 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.3 mt-10 -125.44 170.43 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 m -94.94 126.14 40.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mt -75.23 127.16 86.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.744 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.43 27.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.88 155.9 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 50.71 40.36 24.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -117.11 143.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.18 112.75 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -134.24 162.51 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.427 ' SD ' HG11 ' A' ' 78' ' ' VAL . 1.4 mmt -114.54 167.84 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.07 148.31 52.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.556 HD12 ' CE2' ' A' ' 59' ' ' TYR . 66.0 mt -131.0 138.7 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.01 94.11 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 44' ' ' ILE . 29.6 m -113.46 165.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -91.78 143.32 26.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.1 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.65 138.52 31.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 123.13 9.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -108.4 116.45 31.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.653 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 57.9 m95 -91.45 127.97 37.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 72.2 m-85 -125.92 141.57 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' PHE . 17.3 m80 -55.54 140.29 41.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 32.2 t80 -35.76 -35.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' HIS . 45.3 m -90.83 -57.11 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.8 m -45.15 -49.8 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 67' ' ' VAL . 82.9 t80 -41.45 -36.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 67.9 m95 -84.31 -35.33 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -52.58 -50.18 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 64' ' ' PHE . 20.8 m -52.71 -34.68 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' HIS . . . 128.07 -40.62 1.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' GLY . 34.1 m80 -33.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -103.1 160.38 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.729 HD13 ' CG2' ' A' ' 78' ' ' VAL . 81.0 mt -140.86 125.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -80.26 -54.91 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -126.66 85.99 59.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.23 34.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.576 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 14.0 t0 -50.89 -43.47 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 77' ' ' GLU . 35.0 m -104.38 -41.27 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' N ' HG23 ' A' ' 76' ' ' VAL . 46.6 mt-10 -63.04 -59.0 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.729 ' CG2' HD13 ' A' ' 71' ' ' ILE . 61.2 t -79.16 130.26 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.797 ' O ' HG12 ' A' ' 18' ' ' VAL . 25.3 t0 -79.21 166.71 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.67 -35.79 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 54.6 t80 -35.33 -48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.6 p -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -66.2 -40.01 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.5 mt -53.5 167.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -86.65 151.91 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -41.05 -53.4 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -46.67 -60.35 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -47.77 76.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -46.29 -44.97 17.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -67.32 -45.46 76.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -53.68 -57.33 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -53.5 -47.24 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -56.2 -48.55 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.27 -56.67 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -51.42 -57.12 9.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.79 -46.89 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -44.94 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.044 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -109.92 155.54 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -149.0 108.07 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -107.5 134.99 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -164.54 173.88 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -82.03 111.76 18.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . . . -42.61 131.37 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -82.31 -40.08 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -143.92 161.51 38.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.48 47.16 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -100.43 -45.42 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 154.28 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.3 p -125.16 173.29 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.16 140.7 46.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 32.8 mmtm -106.0 33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HD3' HG13 ' A' ' 67' ' ' VAL . 15.8 tptt -133.99 -45.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.53 -13.93 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t 68.71 49.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -125.5 175.25 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -100.23 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.444 HD13 ' HD2' ' A' ' 41' ' ' ARG . 93.5 mt -65.67 124.68 88.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 147.42 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.295 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -67.68 154.29 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 57.45 42.55 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.3 p -126.63 156.13 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 tp -85.4 106.29 16.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.589 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 25.9 ptt180 -122.73 159.05 28.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.27 162.99 14.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.5 152.16 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 46' ' ' VAL . 68.5 mt -138.54 128.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 mmt -83.9 93.34 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.659 HG21 ' CE1' ' A' ' 57' ' ' HIS . 17.2 m -114.09 167.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 110.854 -179.816 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.3 m -135.79 140.25 33.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.659 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.2 m170 -94.67 114.03 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 80.8 m95 -86.59 142.15 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -140.79 141.63 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -60.13 147.55 39.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 44.9 t80 -42.57 -35.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -90.31 -53.65 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 91.3 m -47.72 -53.99 13.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' A' ' 44' ' ' ILE . 84.0 t80 -40.29 -33.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.567 ' CD1' HG21 ' A' ' 95' ' ' THR . 49.1 m95 -87.71 -31.79 19.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' CYS . 42.9 mmtt -51.69 -52.14 50.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.565 HG13 ' HD3' ' A' ' 30' ' ' LYS . 6.4 m -53.28 -45.63 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 120.55 47.22 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -107.77 49.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.1 m -49.18 163.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.61 HD13 ' CG2' ' A' ' 78' ' ' VAL . 65.0 mt -147.58 131.59 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' A' ' 70' ' ' SER . 0.0 OUTLIER -77.08 -59.09 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.51 85.39 58.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.585 0.707 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.556 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 18.8 t0 -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 77' ' ' GLU . 27.2 m -113.43 -43.7 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 76' ' ' VAL . 25.8 mt-10 -63.4 -47.62 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.61 ' CG2' HD13 ' A' ' 71' ' ' ILE . 53.0 t -92.02 136.09 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -84.94 166.84 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.12 -37.3 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 51.8 t80 -34.83 -53.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -44.4 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' GLY . 11.5 mm-40 -62.18 -37.62 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.6 mt -56.71 159.63 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -75.86 161.29 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -48.68 -52.93 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -47.87 -63.13 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.6 m-20 -51.72 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ASP . 75.0 mt-30 -35.35 -48.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.58 -53.29 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 61' ' ' PHE . 7.6 ttmm -47.25 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 90.1 t -35.58 -54.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -52.3 -53.24 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -43.07 -53.93 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 65' ' ' TRP . 30.1 m -63.56 -47.43 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.84 -48.72 59.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.2 167.08 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -157.69 108.17 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.761 HG12 HG12 ' A' ' 78' ' ' VAL . 13.6 p -101.66 140.76 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.45 171.11 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -79.87 112.22 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.06 125.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -70.38 -50.76 35.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 m -137.64 171.56 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.85 69.66 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -125.9 -45.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.631 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . . . -55.63 143.85 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 35' ' ' ILE . 4.4 m -111.58 178.9 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.1 t -117.35 130.05 56.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 41.0 mmtt -95.28 37.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.485 ' HD3' ' CG1' ' A' ' 67' ' ' VAL . 12.4 tptt -134.99 -49.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -106.27 -18.16 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t 73.62 48.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.25 175.59 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.6 p -96.98 109.21 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 27' ' ' SER . 76.0 mt -54.85 120.91 31.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.16 68.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -76.74 151.07 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.43 39.25 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -124.97 160.93 27.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.82 104.2 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.631 ' NH1' ' HB3' ' A' ' 26' ' ' ALA . 22.8 ptt180 -122.64 160.19 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.643 ' CE ' ' CE2' ' A' ' 64' ' ' PHE . 1.2 mmt -113.05 169.91 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.56 148.85 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.644 HG22 HG13 ' A' ' 46' ' ' VAL . 83.8 mt -134.7 127.5 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 2.7 mmt -88.8 101.94 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.685 HG21 ' CE1' ' A' ' 57' ' ' HIS . 31.2 m -122.61 169.68 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 10.4 tm0? -98.18 108.01 20.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.44 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 5.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.524 HG23 ' CD2' ' A' ' 57' ' ' HIS . 33.2 m -127.63 135.18 27.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 117.73 5.26 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.685 ' CE1' HG21 ' A' ' 46' ' ' VAL . 24.4 m170 -99.33 114.05 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.496 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 94.7 m95 -86.34 123.7 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CE2' HD12 ' A' ' 44' ' ' ILE . 58.5 m-85 -125.81 132.98 52.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -50.04 166.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.3 t80 -56.55 -40.93 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 m -86.84 -45.97 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.7 m -55.64 -45.16 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.643 ' CE2' ' CE ' ' A' ' 42' ' ' MET . 74.6 t80 -47.32 -31.76 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.4 m95 -91.61 -31.87 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -58.4 -52.05 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.485 ' CG1' ' HD3' ' A' ' 30' ' ' LYS . 24.2 m -40.56 -32.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.15 44.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -116.29 113.68 23.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -96.12 160.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.512 HG23 ' OE1' ' A' ' 77' ' ' GLU . 86.1 mt -147.12 127.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -78.86 -57.37 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -125.07 89.62 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.95 27.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 39.5 t0 -64.91 -38.56 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -107.74 -38.08 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.512 ' OE1' HG23 ' A' ' 71' ' ' ILE . 17.5 mt-10 -64.43 -52.67 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.761 HG12 HG12 ' A' ' 18' ' ' VAL . 67.9 t -85.29 117.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' VAL . 43.8 t0 -75.97 134.88 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.38 -36.36 4.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 49.9 t80 -38.99 -47.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 -38.57 75.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -64.61 -42.07 95.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -45.38 155.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -63.24 167.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -60.43 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.7 -62.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.18 -54.28 8.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -40.68 -47.85 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 15.3 mt-30 -58.62 -40.19 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 17.3 ttmm -54.44 -51.61 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.53 -39.99 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 90' ' ' GLN . 19.6 mmmt -45.36 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 91' ' ' LYS . 10.6 pttt -64.39 -55.61 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.4 m -40.83 -42.58 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.16 85.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.89 -44.14 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -120.3 176.25 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 58.5 ttp180 -159.0 107.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.633 HG12 HG12 ' A' ' 78' ' ' VAL . 11.4 p -106.75 130.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.22 167.2 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 21' ' ' ALA . 41.9 m-85 -73.12 109.36 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -33.26 143.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -90.64 -44.06 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -149.45 170.89 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.56 40.65 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 5.0 ptp180 -99.16 -33.29 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -60.83 145.37 50.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 p -115.89 154.24 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -101.08 127.62 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 31.7 mmtm -90.21 17.44 7.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD3' HG13 ' A' ' 67' ' ' VAL . 13.5 tptp -114.84 -53.36 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.54 1.84 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t 52.57 49.49 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -123.45 171.72 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 m -97.19 102.21 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -48.26 128.32 12.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.33 66.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.31 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -71.28 145.32 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.33 50.79 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.51 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 48.7 p -135.86 144.74 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.61 116.08 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.0 ptt180 -135.52 167.31 21.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.418 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 34.1 mtp -119.67 167.99 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.67 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.24 148.29 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.698 HG22 HG13 ' A' ' 46' ' ' VAL . 77.4 mt -131.89 123.97 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.09 93.94 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 44' ' ' ILE . 27.5 m -115.98 177.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -96.29 135.88 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.455 ' HB2' HG13 ' A' ' 55' ' ' VAL . 8.6 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' ' 48' ' ' SER . 27.0 m -138.57 135.52 18.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.72 2.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -90.26 112.69 24.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.67 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 87.9 m95 -86.3 128.21 34.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 57' ' ' HIS . 67.8 m-85 -131.29 135.38 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -52.94 149.8 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.592 ' HE1' HG22 ' A' ' 92' ' ' VAL . 22.9 t80 -43.43 -35.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -91.34 -55.91 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 64.2 m -40.18 -43.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.603 ' CZ ' HD11 ' A' ' 71' ' ' ILE . 18.3 t80 -52.58 -40.79 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.5 m95 -85.07 15.49 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -106.4 -43.06 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.528 HG13 ' HD3' ' A' ' 30' ' ' LYS . 15.4 m -59.67 -30.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.15 42.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.413 ' CD2' HD13 ' A' ' 44' ' ' ILE . 9.1 m-70 -103.55 96.15 6.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.0 p -74.3 152.18 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 84.7 mt -146.22 121.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.17 -69.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -118.74 93.5 46.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -12.45 32.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 7.1 p-10 -65.27 -41.06 94.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.48 -38.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.05 -55.61 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.633 HG12 HG12 ' A' ' 18' ' ' VAL . 67.1 t -83.89 104.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.99 142.1 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 99.6 -41.47 2.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.612 ' HA ' HD12 ' A' ' 84' ' ' LEU . 12.9 t80 -38.15 -46.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -53.1 -42.47 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -61.19 -42.22 98.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 81' ' ' PHE . 60.3 mt -46.74 142.59 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -60.89 163.9 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -49.79 -49.74 47.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -52.2 -60.96 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' GLN . 5.2 m-20 -52.76 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' ASP . 89.0 mt-30 -35.88 -45.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -67.42 -51.95 45.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.1 ttmt -44.29 -52.02 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 ' HE1' ' A' ' 61' ' ' PHE . 97.1 t -61.29 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -47.25 -53.86 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -51.7 -55.15 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.8 m -55.41 -53.76 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.04 -50.01 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -53.43 -46.36 69.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' HB2' HG22 ' A' ' 78' ' ' VAL . 47.5 m-85 -102.47 154.53 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -153.51 112.54 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 41' ' ' ARG . 3.6 p -112.16 133.75 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -163.87 168.88 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.0 m-85 -76.33 109.44 10.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -36.56 140.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -88.23 -46.43 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -141.5 144.73 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 72.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -125.42 -47.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.27 164.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -138.47 169.83 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 14.3 t -110.85 159.45 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 mmtp -110.63 -37.08 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD2' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -51.78 -37.75 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.02 -19.69 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 69.77 47.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.87 -176.14 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -98.55 134.57 41.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.26 129.26 56.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -82.49 149.59 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 57.04 44.5 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -127.21 155.98 42.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.91 116.65 17.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.785 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.0 ptt180 -133.9 169.25 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 45.1 mtp -126.07 162.53 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.57 148.83 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.661 HG22 HG13 ' A' ' 46' ' ' VAL . 87.2 mt -136.21 128.0 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 mmt -87.97 98.28 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.661 HG13 HG22 ' A' ' 44' ' ' ILE . 31.6 m -116.75 174.36 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.53 157.78 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.656 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 m -138.97 137.13 19.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.656 ' CD2' HG23 ' A' ' 55' ' ' VAL . 23.6 m170 -95.81 117.52 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -90.5 130.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CD2' HD12 ' A' ' 44' ' ' ILE . 79.4 m-85 -129.57 137.11 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' PHE . 45.7 m80 -58.57 139.52 55.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 35.3 t80 -32.4 -40.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -84.85 -52.15 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.4 m -44.0 -42.14 5.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' HD11 ' A' ' 71' ' ' ILE . 7.5 t80 -54.93 -36.17 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.6 m95 -88.84 10.32 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' SER . 46.8 mmtt -100.05 -44.97 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 30' ' ' LYS . 6.9 m -55.02 -45.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 116.18 43.79 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.636 ' NE2' HD13 ' A' ' 44' ' ' ILE . 14.8 m-70 -85.1 151.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.7 m -117.2 119.8 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.556 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 76.6 mt -127.35 110.06 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -71.2 -73.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.96 94.26 28.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.818 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.75 14.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.571 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 t0 -75.8 -36.57 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.39 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -69.68 -46.91 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 16' ' ' TYR . 93.6 t -95.47 132.76 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.14 160.43 24.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 79.15 -41.87 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 30.4 t80 -34.36 -55.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -41.62 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.2 mt-10 -61.71 -41.41 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 81' ' ' PHE . 89.1 mt -46.74 163.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 85' ' ' ARG . 2.0 mpt_? -78.34 157.05 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.515 ' CE3' ' N ' ' A' ' 87' ' ' ASP . 20.6 t90 -39.13 -58.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.515 ' N ' ' CE3' ' A' ' 86' ' ' TRP . 36.0 t70 -41.9 -62.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -54.49 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -44.86 -46.08 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -72.85 -42.71 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -62.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -42.73 -48.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -49.32 -66.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -39.56 -63.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.5 HG21 ' NE1' ' A' ' 65' ' ' TRP . 65.3 m -49.89 -53.15 27.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.22 -54.01 24.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.62 -50.44 60.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -123.23 163.44 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -152.59 108.94 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 78' ' ' VAL . 14.9 p -101.82 120.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -149.46 173.09 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.59 111.38 19.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.03 114.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -45.12 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -138.63 161.17 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.66 44.12 3.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -111.7 38.87 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.1 161.27 24.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -128.25 129.46 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 50.4 t -77.45 132.84 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -95.66 35.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 14.3 tptt -135.05 -52.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -100.82 -13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t 67.91 46.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -126.07 173.84 8.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 p -93.14 104.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.3 mt -52.48 130.24 44.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.46 67.66 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 36.1 ttpt -77.88 160.58 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 6.7 p-10 46.15 42.35 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.6 p -123.61 152.28 42.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.05 109.97 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.548 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 21.3 ptt180 -128.89 164.09 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.533 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -113.61 168.63 9.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.63 149.75 46.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.848 HD12 ' CE2' ' A' ' 59' ' ' TYR . 41.9 mt -138.82 122.06 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.41 101.5 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 44' ' ' ILE . 24.8 m -119.95 170.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -98.48 118.1 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.848 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.2 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 57' ' ' HIS . 28.7 m -136.57 137.78 24.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 113.45 3.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.288 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 17.6 m170 -95.63 111.71 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 93.1 m95 -86.46 133.72 33.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.848 ' CE2' HD12 ' A' ' 44' ' ' ILE . 97.3 m-85 -131.66 150.39 52.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 22.3 m80 -68.45 158.45 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.7 t80 -46.25 -39.9 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 81.8 p -89.7 -50.3 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 60' ' ' HIS . 69.7 m -46.0 -50.07 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 55.3 t80 -48.58 -34.12 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.2 m95 -85.43 -32.47 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -54.42 -52.19 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 68' ' ' GLY . 25.1 m -48.4 -42.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 115.8 45.73 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -106.63 94.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.6 m -82.24 151.77 26.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.712 HG23 ' OE1' ' A' ' 77' ' ' GLU . 90.5 mt -145.64 118.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -70.47 -58.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -117.67 86.86 24.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.25 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.567 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 7.3 p-10 -73.96 -42.65 60.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.36 -32.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 71' ' ' ILE . 39.4 mt-10 -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 18' ' ' VAL . 82.4 t -81.37 114.03 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.62 111.25 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 135.43 -37.74 1.88 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 59.5 t80 -34.79 -49.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -63.34 -40.81 98.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' GLY . 39.9 mt-10 -66.0 -40.78 91.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.5 mt -52.04 164.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -73.88 165.48 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -58.81 -49.74 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -58.52 -61.78 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -46.12 -51.61 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.4 -43.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -64.22 -42.07 96.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -53.8 -43.78 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.01 -40.7 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -45.1 -57.48 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -59.4 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.5 m -39.21 -46.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.23 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.51 -33.54 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -109.19 156.83 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -148.08 109.85 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.57 HG11 HD11 ' A' ' 84' ' ' LEU . 7.7 p -102.98 132.33 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.85 149.94 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.8 m-85 -62.46 106.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -34.58 139.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.073 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -95.71 -41.83 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 p -134.02 141.34 47.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 45.19 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 25.7 ptt180 -102.86 -38.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -58.99 130.93 49.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 m -99.05 179.37 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.07 136.68 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.5 mmtt -98.38 31.08 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HD3' HG13 ' A' ' 67' ' ' VAL . 8.9 tptp -130.48 -54.9 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.3 p -100.12 -17.59 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 71.19 54.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.58 173.61 11.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -95.65 115.4 27.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -67.47 130.6 93.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 158.79 55.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -78.0 156.71 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 52.02 41.75 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.448 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 30.0 p -119.61 157.15 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.18 106.42 14.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 37.6 ptt180 -130.81 166.89 19.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtp -121.29 160.86 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.56 151.34 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.517 HG22 HG13 ' A' ' 46' ' ' VAL . 59.1 mt -134.03 130.16 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mmt -86.94 103.54 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.517 HG13 HG22 ' A' ' 44' ' ' ILE . 21.9 m -121.62 174.55 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -108.94 124.5 50.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 110.868 -179.788 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.1 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.28 136.6 27.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 112.92 3.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.409 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -95.36 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 96.0 m95 -87.3 137.3 32.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.0 m-85 -140.45 136.4 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.22 144.06 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.3 t80 -39.07 -37.9 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 t -87.11 -52.82 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 62.6 m -45.89 -52.95 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 17.1 t80 -41.8 -37.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 72.1 m95 -80.66 -35.06 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -52.82 -50.64 63.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 64' ' ' PHE . 16.3 m -54.35 -32.4 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.95 41.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 8.6 m-70 -101.55 87.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 p -75.4 148.49 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.514 HD12 ' CH2' ' A' ' 65' ' ' TRP . 50.6 mt -134.05 103.47 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 72' ' ' ARG . 4.0 mmt180 -51.43 -60.17 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 93.5 m-70 -129.26 95.03 31.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.1 Cg_endo -69.77 -4.8 14.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.5 t70 -78.25 -37.53 44.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -109.41 -28.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -72.41 -57.17 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.7 t -74.67 137.04 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -88.54 114.92 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.15 35.28 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 87.9 t80 -85.12 -55.72 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -50.24 -34.65 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.57 HD11 HG11 ' A' ' 18' ' ' VAL . 82.9 mt -47.9 142.22 5.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.56 155.31 33.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -40.98 -55.97 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -49.19 -45.65 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.99 -51.46 58.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.55 -45.25 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.44 -43.16 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -57.19 -55.85 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.0 t -51.91 -51.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.41 -62.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' GLU . 22.0 mtpt -48.38 -44.24 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 32.8 m -66.42 -35.33 80.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -50.51 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 9.8 pt-20 -56.91 -38.74 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.512 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -102.62 166.94 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 61.0 ttm-85 -154.89 149.72 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 78' ' ' VAL . 13.0 p -148.24 126.19 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -160.66 163.88 32.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.8 m-85 -74.47 106.41 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.08 137.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -80.53 -41.48 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -151.6 172.88 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.07 70.57 1.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.12 -55.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 58' ' ' TRP . . . -54.63 156.03 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 m -121.84 173.27 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 21.2 mmtp -90.99 15.01 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HD3' HG13 ' A' ' 67' ' ' VAL . 6.7 tptm -113.87 -60.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -103.5 19.63 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' CYS . 3.7 t 38.11 54.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.1 mt-10 -123.01 -176.34 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -103.72 131.68 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -81.28 120.94 79.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.02 67.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 48.9 tttt -76.17 148.45 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.7 t70 64.35 43.16 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.8 p -130.13 150.84 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.97 112.05 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.2 ptt180 -131.46 170.22 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -124.05 173.94 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -146.34 146.28 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.732 HD11 ' CE2' ' A' ' 64' ' ' PHE . 3.8 mp -132.33 129.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -80.9 111.51 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.3 m -133.89 172.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.25 140.47 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.81 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -129.96 139.51 35.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.7 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CE1' HG21 ' A' ' 46' ' ' VAL . 6.7 m170 -96.16 111.63 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 89.3 m95 -86.13 143.59 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 64.7 m-85 -146.12 140.76 26.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -58.61 146.44 36.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 31.3 t80 -39.52 -34.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.4 p -91.36 -56.43 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 87.1 m -44.29 -41.41 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 44' ' ' ILE . 50.3 t80 -55.0 -35.61 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 57.2 m95 -84.28 -33.26 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -55.25 -51.92 65.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.471 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.7 m -50.97 -45.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 125.12 36.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 21.9 m-70 -91.29 45.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.325 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.449 ' C ' HG13 ' A' ' 71' ' ' ILE . 24.5 m -49.08 150.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD13 ' CG2' ' A' ' 78' ' ' VAL . 61.5 mt -147.44 131.61 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -121.23 85.3 41.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.43 34.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.573 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.3 t70 -62.39 -33.56 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.45 -39.11 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -66.55 -46.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 18' ' ' VAL . 55.1 t -93.77 125.12 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.24 153.37 34.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 92.76 -37.7 3.33 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 84.4 t80 -34.34 -55.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.365 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -51.88 -41.32 61.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' GLY . 37.2 mt-10 -61.32 -42.62 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -45.05 170.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.41 165.25 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -51.45 -50.24 60.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.64 -63.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.8 m-20 -50.52 -56.42 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -40.56 -46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -63.88 -38.63 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 19.9 ttmt -58.14 -53.1 62.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.95 -38.88 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.96 -67.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.56 -54.93 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.3 m -39.39 -45.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.43 64.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.26 -45.74 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.683 ' HB2' HG22 ' A' ' 78' ' ' VAL . 41.0 m-85 -122.61 170.51 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 47.1 ttt180 -157.83 108.17 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG12 HG12 ' A' ' 78' ' ' VAL . 13.4 p -103.29 128.54 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -158.71 169.59 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ALA . 28.5 m-85 -78.98 115.12 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -34.22 117.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.02 -45.39 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -141.13 172.2 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.46 43.15 2.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -103.92 -60.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.1 126.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.7 p -95.52 165.04 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 44.3 t -100.05 135.21 41.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 24.6 mmmt -99.04 32.74 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD3' HG13 ' A' ' 67' ' ' VAL . 20.8 tptt -132.66 -51.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 32.1 p -114.78 15.09 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 t 42.58 55.0 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.9 mt-10 -123.53 172.02 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.9 p -98.94 106.3 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -51.52 119.72 13.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.07 62.29 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -70.93 150.14 46.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 62.59 43.23 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 p -132.54 142.26 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.14 116.3 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -132.9 173.33 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 mmt -126.25 168.59 13.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.658 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -139.53 113.14 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.639 HD12 ' CD2' ' A' ' 59' ' ' TYR . 41.3 mt -97.59 130.5 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.7 mmm -92.11 100.43 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 44' ' ' ILE . 27.7 m -121.01 168.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -97.21 124.51 41.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.903 -179.818 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.1 137.65 26.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.726 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' A' ' 46' ' ' VAL . 21.4 m170 -105.64 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.658 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 88.6 m95 -86.62 128.32 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.639 ' CD2' HD12 ' A' ' 44' ' ' ILE . 52.8 m-85 -130.41 144.19 51.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -61.64 145.02 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 45.8 t80 -37.91 -33.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 98.7 p -93.14 -51.83 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 63.5 m -46.98 -45.62 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.627 ' HZ ' HD11 ' A' ' 71' ' ' ILE . 56.4 t80 -51.97 -33.59 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.9 m95 -83.71 -34.82 24.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -54.37 -51.4 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG13 ' HD3' ' A' ' 30' ' ' LYS . 3.5 m -52.9 -25.96 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.22 47.03 2.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.52 50.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -46.57 163.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.627 HD11 ' HZ ' ' A' ' 64' ' ' PHE . 96.3 mt -145.68 125.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -64.11 -62.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 81.2 m-70 -130.01 91.4 39.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.9 Cg_endo -69.73 -15.64 37.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.537 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 42.8 t0 -58.76 -44.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.74 -29.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.98 -47.15 39.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 16' ' ' TYR . 87.0 t -92.94 126.4 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.81 130.07 35.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 117.03 -37.19 3.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 78.7 t80 -37.76 -61.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.4 t -46.92 -42.3 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.813 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.0 -41.7 99.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 81' ' ' PHE . 96.0 mt -49.48 153.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -64.91 173.35 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -61.77 -58.88 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -47.64 -53.44 14.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.76 -49.99 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -43.94 -44.8 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.72 -38.78 80.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -58.48 -57.72 11.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.37 -41.21 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -52.7 -70.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -50.83 -55.91 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -44.03 -47.1 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.09 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -52.59 -45.15 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.93 154.44 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 21.8 ttm180 -155.09 107.3 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG12 HG12 ' A' ' 78' ' ' VAL . 4.6 p -100.21 127.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -148.43 177.19 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.477 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 42.6 m-85 -92.57 104.06 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.17 130.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -81.57 -38.93 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 p -136.07 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.47 45.84 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 26' ' ' ALA . 67.5 mtp180 -101.22 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.809 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -34.53 136.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -106.62 168.11 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -99.64 137.54 37.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 20.0 mmmt -100.38 32.29 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HD3' HG13 ' A' ' 67' ' ' VAL . 25.4 tptt -133.67 -52.02 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -108.66 4.78 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m 52.71 54.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.8 mt-10 -128.7 174.71 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -97.81 130.55 44.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.47 130.06 75.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.74 65.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -76.71 155.07 33.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 50.95 51.71 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -132.55 164.88 25.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.27 112.57 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' NH1' ' CB ' ' A' ' 26' ' ' ALA . 26.1 ptt180 -129.31 168.1 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 22.5 mtp -118.45 168.52 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -138.46 114.83 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.63 HD12 ' CE2' ' A' ' 59' ' ' TYR . 70.5 mt -103.12 130.48 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.9 mmm -92.97 102.3 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 57' ' ' HIS . 18.6 m -116.67 172.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -100.78 134.88 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.835 -179.813 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.4 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.509 HG23 ' CD2' ' A' ' 57' ' ' HIS . 17.1 m -147.75 139.28 13.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.8 m170 -104.54 114.19 28.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -86.86 136.28 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.63 ' CE2' HD12 ' A' ' 44' ' ' ILE . 73.2 m-85 -132.62 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' SER . 19.5 m80 -73.65 133.88 43.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.6 t80 -34.0 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 60' ' ' HIS . 26.6 t -90.74 -54.79 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 58.7 m -45.28 -43.79 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 12.0 t80 -53.35 -33.6 54.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 54.3 m95 -87.84 16.66 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -108.25 -45.3 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.676 HG13 ' HD3' ' A' ' 30' ' ' LYS . 5.9 m -58.15 -35.2 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.34 43.82 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -97.96 85.64 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 m -69.43 151.12 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.62 HD13 HG21 ' A' ' 78' ' ' VAL . 71.6 mt -144.89 116.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 72' ' ' ARG . 26.7 mtt180 -70.32 -56.35 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -127.18 92.29 44.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.21 2.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.572 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -84.05 -41.56 17.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 m -108.9 -30.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -76.74 -42.79 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 71' ' ' ILE . 99.6 t -98.65 100.1 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.46 166.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 79.2 -42.42 2.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.689 ' HA ' HD12 ' A' ' 84' ' ' LEU . 71.3 t80 -37.06 -54.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -51.52 -42.54 61.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 80' ' ' GLY . 22.8 mt-10 -61.35 -41.68 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 81' ' ' PHE . 46.6 mt -51.46 156.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -74.43 155.75 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -42.3 -51.45 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.66 -53.47 24.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.4 -49.91 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.554 ' HA ' ' CE1' ' A' ' 81' ' ' PHE . 61.1 mt-30 -43.39 -46.48 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.5 -46.4 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -51.44 -47.49 63.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -42.5 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -56.6 -57.84 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -50.47 -62.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.8 m -51.82 -50.78 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.17 -55.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.98 -45.68 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -58.07 147.04 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -77.62 -50.93 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.32 158.44 34.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m -140.39 109.33 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -75.89 173.2 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.56 47.25 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ttt -116.95 123.41 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.43 128.54 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -129.12 127.81 42.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -82.04 -40.85 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -115.55 110.67 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.89 45.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' A' ' 76' ' ' VAL . 26.7 mttp -45.12 139.78 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.55 -42.88 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -101.77 155.88 17.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -154.07 108.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.53 131.14 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -162.93 148.39 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.7 m-85 -59.5 113.51 2.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . . . -35.91 143.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -95.11 -42.65 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 t -138.92 171.33 14.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.29 46.83 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -111.87 -42.78 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.49 129.89 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.6 p -98.84 163.92 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 t -113.31 139.22 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 16.5 mmmt -102.35 32.52 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HD2' HG13 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -132.2 -43.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.38 -4.69 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 m 56.88 52.45 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -128.82 173.99 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.0 p -98.98 104.49 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -49.55 127.07 17.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.04 61.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -77.69 141.73 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 67.52 39.55 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.427 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 90.8 p -122.59 146.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 tp -72.58 110.74 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 31.7 ptt180 -130.43 157.34 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.509 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 39.3 mtp -113.74 168.13 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.8 148.48 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.669 HD12 ' CD2' ' A' ' 59' ' ' TYR . 48.9 mt -136.9 133.14 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mmt -91.79 109.44 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 57' ' ' HIS . 12.4 m -125.3 158.15 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.543 ' NE2' ' O ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -92.68 112.99 25.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.543 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 1.9 m -82.48 136.49 45.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -34.3 14.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mmt -84.43 -42.25 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.77 -3.05 36.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 40.41 35.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.09 -164.37 17.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -100.9 135.0 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.45 139.55 35.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 114.03 3.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.7 m170 -100.61 113.39 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 81.5 m95 -86.57 132.2 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' HD12 ' A' ' 44' ' ' ILE . 62.0 m-85 -132.72 131.52 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -49.56 157.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 29.0 t80 -46.0 -36.72 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p -91.47 -51.99 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 64.5 m -42.67 -47.31 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 25.4 t80 -51.56 -35.57 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' HD12 ' A' ' 71' ' ' ILE . 56.0 m95 -84.66 -33.43 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . 29.8 mttt -53.76 -52.3 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG13 ' HD2' ' A' ' 30' ' ' LYS . 25.3 m -51.08 -35.55 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 42.89 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -104.17 83.45 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD12 ' CH2' ' A' ' 65' ' ' TRP . 28.5 mt -139.16 122.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -74.46 -64.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -116.02 83.3 12.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.9 15.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.1 t70 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.493 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 27.0 m -114.61 -39.43 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.31 -44.25 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 71' ' ' ILE . 63.3 t -97.12 122.17 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' CA ' ' HD2' ' A' ' 14' ' ' LYS . 21.9 t70 -68.41 164.91 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -39.04 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 27.0 t80 -34.81 -58.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -55.65 -38.93 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -64.58 -42.03 95.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.39 159.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -74.77 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -52.47 -54.74 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -46.5 -62.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.42 -54.39 17.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -44.08 -51.12 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -63.4 -43.36 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 32.8 tttt -55.65 -58.42 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.4 -39.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -60.5 -53.43 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -52.33 -42.26 63.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.464 HG21 ' NE1' ' A' ' 65' ' ' TRP . 20.9 m -69.09 -58.44 4.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 71' ' ' ILE . . . -41.29 -47.39 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.57 -47.08 85.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.1 89.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.9 47.54 19.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.46 148.95 4.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -67.51 -54.24 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.14 91.65 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' SER . 54.1 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 t -43.21 91.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.6 m -103.45 145.61 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -163.67 169.26 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -126.77 168.97 13.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -173.77 7.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -159.17 151.16 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 p -76.04 175.8 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.99 79.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -52.73 141.71 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 150.61 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -104.25 158.02 16.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -97.41 74.75 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.9 p -158.35 110.3 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.12 41.37 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 22.9 mmtm -96.25 123.63 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.01 -40.79 90.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.402 ' HB2' HG22 ' A' ' 78' ' ' VAL . 72.5 m-85 -104.82 153.6 21.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -149.19 107.05 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 41' ' ' ARG . 13.7 p -106.41 123.21 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -158.42 173.06 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -78.87 113.75 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.68 132.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -76.84 -42.56 39.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -152.64 161.09 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.67 48.46 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -100.7 -47.67 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 152.22 23.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.6 m -117.05 173.14 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 41.0 t -105.62 138.11 42.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 50.7 mmtt -99.32 30.59 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 9.5 tptt -131.61 -53.29 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.3 p -110.89 15.11 21.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t 42.25 55.07 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 8.8 mm-40 -123.34 167.57 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.28 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG21 ' HD3' ' A' ' 41' ' ' ARG . 45.8 mt -50.75 126.98 25.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.666 0.746 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.57 65.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.93 141.51 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 68.96 42.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 p -128.53 159.4 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.11 119.58 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 18' ' ' VAL . 36.8 ptt180 -138.47 172.98 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.0 mtp -129.13 167.97 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -133.94 153.33 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.544 HD11 ' CE2' ' A' ' 64' ' ' PHE . 66.3 mt -140.68 127.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.35 108.12 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.459 HG21 ' CD2' ' A' ' 57' ' ' HIS . 16.9 m -126.66 170.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 6.6 tm0? -101.56 122.91 44.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -100.32 138.55 20.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -26.43 27.41 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.9 mmm -78.41 -46.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.81 160.99 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.34 39.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.84 -128.05 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -119.86 162.01 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 22.3 m -139.9 142.16 29.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 112.18 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.459 ' CD2' HG21 ' A' ' 46' ' ' VAL . 0.3 OUTLIER -94.79 110.24 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 95.6 m95 -86.27 128.64 34.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.6 m-85 -128.24 150.06 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.8 m80 -69.02 139.94 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 46.5 t80 -34.02 -33.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.2 m -92.97 -54.99 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.2 m -45.97 -50.23 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 44' ' ' ILE . 8.5 t80 -44.63 -32.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 63.7 m95 -85.67 -34.97 21.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -52.71 -52.01 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -48.53 -37.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 45.52 0.99 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -110.04 87.07 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.408 ' C ' HG13 ' A' ' 71' ' ' ILE . 65.0 p -71.84 161.18 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 70' ' ' SER . 77.7 mt -147.08 114.91 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -60.08 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -125.19 89.19 53.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.56 34.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.4 p-10 -61.58 -41.73 97.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.02 -39.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.11 -44.7 94.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG22 ' HB2' ' A' ' 16' ' ' TYR . 58.6 t -95.43 127.25 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 9.7 t70 -76.27 152.21 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 90.65 -37.83 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 14.1 t80 -36.69 -48.85 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 t -56.69 -43.07 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 mt-10 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.4 mt -44.0 153.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -67.66 157.63 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -45.1 -59.53 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -49.89 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -51.28 -54.25 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -43.9 -48.7 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.96 -43.32 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.6 ttmt -56.03 -52.17 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.56 -47.18 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -59.08 -51.33 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -56.36 -49.1 75.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.9 m -61.52 -51.05 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.69 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -54.39 -45.28 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.14 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.38 63.28 3.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.34 172.69 37.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.3 m -157.65 162.8 38.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.39 169.8 42.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 97.01 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.8 m -75.38 170.8 15.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 m -56.66 98.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.533 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -158.92 155.81 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -160.89 147.26 14.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.37 122.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -112.45 82.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -55.93 158.15 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.9 73.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.03 130.56 50.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.75 127.36 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -145.23 130.13 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -68.19 105.49 2.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 t -161.54 114.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.08 42.18 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -91.96 159.14 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.63 -48.25 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.776 ' HB2' HG22 ' A' ' 78' ' ' VAL . 39.5 m-85 -108.08 153.6 22.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -153.95 107.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 41' ' ' ARG . 11.0 p -100.12 142.77 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -171.36 161.0 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ALA . 35.3 m-85 -71.63 109.97 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -35.12 114.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -63.43 -37.58 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -152.68 154.71 35.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.09 62.05 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -131.61 39.24 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.11 134.9 36.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -103.48 168.5 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.9 t -107.89 139.37 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -104.64 35.16 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.821 ' HD3' HG13 ' A' ' 67' ' ' VAL . 10.2 tptp -133.66 -48.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -109.46 -7.5 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t 65.62 55.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.24 176.69 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -99.94 129.17 45.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.38 127.46 82.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.743 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.6 62.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -77.74 152.34 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.52 43.15 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 p -123.37 152.3 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.02 112.74 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.882 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.5 ptt180 -133.92 171.34 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.425 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -120.95 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -141.62 150.38 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.664 HG22 HG13 ' A' ' 46' ' ' VAL . 38.4 mt -137.08 135.51 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.3 mmt -93.2 94.75 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 44' ' ' ILE . 27.4 m -115.56 169.04 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.68 150.57 23.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -118.4 145.03 36.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.24 2.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.3 mmt -78.74 -43.18 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 2.3 t80 -74.56 -1.57 22.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER 33.26 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . -159.22 -163.62 13.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -101.65 138.69 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.2 m -136.16 137.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 111.094 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' CE1' HG21 ' A' ' 46' ' ' VAL . 20.8 m170 -105.9 115.34 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 68.5 m95 -93.74 134.12 36.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CE1' HD12 ' A' ' 44' ' ' ILE . 87.2 m-85 -127.9 155.27 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.4 m80 -68.19 140.45 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 28.4 t80 -33.69 -37.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' HIS . 80.1 p -87.97 -55.83 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 93.3 m -45.05 -52.54 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD2' ' CB ' ' A' ' 42' ' ' MET . 41.0 t80 -43.86 -35.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 41.3 m95 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -53.97 -51.69 63.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.821 HG13 ' HD3' ' A' ' 30' ' ' LYS . 11.6 m -49.66 -43.89 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.69 48.04 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.37 96.18 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 m -81.7 139.38 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.623 HD13 HG21 ' A' ' 78' ' ' VAL . 46.1 mt -133.88 100.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -47.59 -62.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 4.4 m-70 -126.41 94.64 40.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.567 0.699 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.9 Cg_endo -69.75 -21.02 34.13 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.61 ' OD2' HG13 ' A' ' 76' ' ' VAL . 7.4 p-10 -57.57 -37.94 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.61 HG13 ' OD2' ' A' ' 75' ' ' ASP . 34.3 m -111.02 -45.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' N ' HG23 ' A' ' 76' ' ' VAL . 20.9 mt-10 -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.776 HG22 ' HB2' ' A' ' 16' ' ' TYR . 92.0 t -96.31 130.28 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.31 165.36 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.6 -37.46 2.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.526 ' HA ' HD12 ' A' ' 84' ' ' LEU . 14.8 t80 -38.28 -54.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.9 t -55.09 -43.01 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.13 -41.95 97.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 81' ' ' PHE . 52.3 mt -50.44 168.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -85.95 162.94 18.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -45.5 -53.03 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -51.19 -61.63 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -56.76 8.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -38.97 -43.78 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -70.56 -56.16 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -40.5 -51.8 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.86 -35.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -59.83 -66.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -49.38 -52.78 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.3 m -53.71 -57.16 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.94 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -43.06 -45.47 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.47 -43.42 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.13 -56.06 1.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -156.67 127.6 2.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 t -97.77 120.78 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.87 -94.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.9 p -137.85 155.93 48.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -45.89 -54.6 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -166.39 173.55 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -133.73 157.62 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.2 172.86 45.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -134.92 148.4 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -94.19 146.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 126.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tpt -38.95 126.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.67 105.13 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.8 103.04 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -168.91 150.75 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p 38.49 39.25 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -107.82 80.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -101.26 125.35 47.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -50.83 -44.96 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -115.6 163.61 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -159.13 113.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.571 HG12 HG12 ' A' ' 78' ' ' VAL . 14.9 p -110.99 134.08 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.5 170.54 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.3 m-85 -75.48 104.79 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.84 122.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -48.71 68.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 t -137.44 158.8 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.62 43.57 3.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -100.35 -43.88 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.36 138.11 55.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 p -107.11 162.13 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -92.52 170.99 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 55.1 mmtt -120.11 -36.33 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -68.98 -34.47 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -118.59 -27.82 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t 72.8 49.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -118.82 176.71 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.7 p -94.06 103.41 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.8 125.59 47.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.32 47.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -65.21 148.25 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 43.28 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 p -127.74 148.45 50.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 61' ' ' PHE . 14.7 tp -73.46 106.97 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.5 ptt180 -122.89 161.36 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.518 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -115.25 160.04 20.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.51 131.96 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.793 HD12 ' CD2' ' A' ' 59' ' ' TYR . 54.4 mt -119.93 138.16 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.7 mmt -95.86 101.06 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.405 HG21 ' NE2' ' A' ' 57' ' ' HIS . 10.8 m -111.6 165.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -94.31 106.41 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -68.47 122.03 82.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -35.11 13.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.5 mtt -75.94 -46.83 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.86 178.72 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -111.15 43.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.29 -159.11 21.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -105.37 143.02 34.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.3 m -122.19 138.7 29.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -95.14 114.96 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.492 ' CE3' ' HD2' ' A' ' 41' ' ' ARG . 92.9 m95 -86.79 133.35 33.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 44' ' ' ILE . 70.9 m-85 -133.59 130.47 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -50.18 160.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 27.9 t80 -50.17 -35.79 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.1 p -93.0 -44.7 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 34.6 m -48.55 -51.37 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 20.3 t80 -47.34 -34.07 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 50.8 m95 -87.68 -33.65 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -53.35 -49.39 67.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 18.8 m -51.24 -34.62 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.9 43.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -99.49 119.96 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.0 p -99.61 153.37 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.604 HD13 ' CG2' ' A' ' 78' ' ' VAL . 96.6 mt -146.48 130.84 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -79.47 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 73.1 m-70 -128.73 90.92 44.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.7 Cg_endo -69.73 -16.35 37.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.515 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.1 p-10 -56.06 -37.17 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 77' ' ' GLU . 28.9 m -111.17 -39.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 76' ' ' VAL . 36.0 mt-10 -65.38 -56.87 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.604 ' CG2' HD13 ' A' ' 71' ' ' ILE . 91.6 t -82.06 106.18 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.26 160.83 4.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 86.68 -39.33 3.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.655 ' HA ' HD12 ' A' ' 84' ' ' LEU . 17.3 t80 -34.97 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.423 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 2.0 t -57.4 -41.5 80.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.7 mt-10 -61.95 -42.27 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 81' ' ' PHE . 24.5 mt -54.81 150.55 9.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -67.16 159.79 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -44.95 -51.39 9.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.59 -55.65 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.1 m-20 -58.3 -58.66 7.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 82' ' ' SER . 76.9 mt-30 -38.36 -46.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.1 -49.81 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -45.88 -60.21 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' LYS . 87.4 t -49.09 -60.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' VAL . 24.2 mtpp -36.27 -62.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -49.18 -52.14 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.6 m -53.97 -57.16 12.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.98 -46.69 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.76 -45.84 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' A' ' 101' ' ' SER . . . -51.22 -41.88 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.07 -68.5 2.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.9 -52.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.786 ' O ' ' HB1' ' A' ' 98' ' ' ALA . 2.6 m -92.3 143.86 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.73 121.46 3.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.06 20.08 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.3 t -77.74 126.09 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.0 m -117.98 160.31 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -139.33 173.82 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m -161.26 114.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.7 149.16 17.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -75.26 164.94 25.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -131.47 119.28 21.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.37 65.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mtt -113.76 131.7 56.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.64 136.62 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -123.44 99.63 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -90.15 44.82 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.2 p -123.63 113.14 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -90.18 71.21 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -130.73 122.0 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.72 -40.17 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.403 ' HB2' HG22 ' A' ' 78' ' ' VAL . 36.0 m-85 -113.87 153.34 29.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -149.84 107.52 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' ARG . 12.6 p -99.55 137.36 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -169.95 158.93 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.6 m-85 -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.33 141.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -87.0 -43.31 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -145.45 146.94 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.8 67.17 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -121.07 -40.42 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB1' ' CD1' ' A' ' 58' ' ' TRP . . . -65.71 122.88 18.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -83.25 171.38 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.37 135.21 42.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.7 mmtt -91.51 28.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.742 ' HD3' HG13 ' A' ' 67' ' ' VAL . 10.1 tptp -133.34 -54.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 28.7 p -109.36 15.31 23.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m 39.98 54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -120.34 174.64 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.7 p -100.28 99.73 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG21 ' HD3' ' A' ' 41' ' ' ARG . 96.9 mt -45.75 124.61 6.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.19 64.33 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 39.4 tttm -67.93 165.6 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 8.2 p-10 38.97 48.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 p -128.46 154.5 46.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.56 113.09 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.552 ' HD3' HG21 ' A' ' 35' ' ' ILE . 19.2 ptt180 -133.29 173.35 11.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.8 mtp -125.58 160.9 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -129.78 116.72 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 64' ' ' PHE . 86.6 mt -104.91 131.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 68.2 mmm -90.32 115.64 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.1 m -132.4 177.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -103.82 131.05 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -101.62 138.37 19.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -36.52 10.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.51 -45.02 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -87.12 162.46 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -98.79 38.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.24 -148.98 6.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.442 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -108.32 150.29 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG23 ' CD2' ' A' ' 57' ' ' HIS . 26.8 m -129.37 139.79 36.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.2 m170 -106.74 114.73 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 84.7 m95 -87.7 129.35 35.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 72.9 m-85 -128.36 149.64 50.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.5 m80 -70.85 140.28 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 23.7 t80 -36.22 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -93.09 -54.75 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 66.4 m -44.89 -48.36 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' HD11 ' A' ' 44' ' ' ILE . 11.6 t80 -47.3 -32.87 5.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 59.4 m95 -87.05 -31.35 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -55.34 -51.96 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.742 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.9 m -53.54 -38.09 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 47.92 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -102.25 84.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.401 ' C ' HG13 ' A' ' 71' ' ' ILE . 19.1 p -65.44 156.43 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 74.1 mt -146.42 120.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -62.44 -70.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -122.93 91.16 49.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HG3' ' CB ' ' A' ' 96' ' ' ALA . 53.6 Cg_endo -69.8 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.577 ' OD2' HG13 ' A' ' 76' ' ' VAL . 4.7 p-10 -72.91 -33.74 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' OD2' ' A' ' 75' ' ' ASP . 16.0 m -115.28 -28.31 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.67 -49.88 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 18' ' ' VAL . 90.7 t -84.94 105.71 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -55.41 160.39 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.93 -37.97 2.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 4.5 t80 -35.61 -52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.0 t -56.0 -40.56 73.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' GLY . 90.8 mt-10 -61.93 -42.79 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.08 157.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -74.69 161.9 29.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -41.59 -55.84 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -52.85 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.73 -46.01 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -52.15 -55.06 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.98 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -50.23 -42.78 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.62 -41.02 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.17 -42.39 85.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -72.18 -48.0 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -56.88 -50.1 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.401 ' CB ' ' HG3' ' A' ' 74' ' ' PRO . . . -52.57 -47.56 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -54.88 -47.31 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 99' ' ' GLY . . . -58.4 -42.98 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 98' ' ' ALA . . . -34.78 -40.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 99' ' ' GLY . . . -35.9 -80.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.6 t -88.58 91.53 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -53.66 139.63 35.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.46 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 p -108.04 163.06 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.2 m -103.34 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -160.23 128.62 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -174.48 125.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.09 127.74 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -54.43 -53.92 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 p -149.98 163.16 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.95 134.88 10.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 mtm -81.9 83.57 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.4 112.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -45.73 116.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.6 p -130.91 129.2 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m -105.39 120.96 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -89.12 47.5 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -68.91 162.18 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.93 -46.32 36.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.431 ' HB2' HG22 ' A' ' 78' ' ' VAL . 64.1 m-85 -109.41 159.36 17.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -159.13 113.7 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 41' ' ' ARG . 11.9 p -109.27 135.41 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.81 153.96 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -62.37 114.82 3.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.28 128.97 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -79.34 -43.45 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -139.82 157.64 45.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.02 44.73 3.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -101.39 -45.58 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.43 145.37 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -112.17 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 39.3 t -106.85 142.7 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 65.0 mmtt -104.25 34.4 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 5.5 tptp -135.0 -54.36 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.52 -17.46 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t 72.29 46.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.07 173.98 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.7 p -90.94 127.04 36.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.49 127.8 89.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 150.22 67.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.301 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -74.48 152.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 t70 55.13 42.94 30.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 p -126.07 144.98 50.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 61' ' ' PHE . 26.0 tp -69.96 117.26 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.8 ptt180 -132.76 164.13 27.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 36.7 mtp -118.27 156.79 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -128.42 129.18 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.599 HD12 ' CE2' ' A' ' 59' ' ' TYR . 51.1 mt -114.51 132.59 63.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.68 98.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 17.0 m -106.43 176.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -111.05 111.15 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 m -82.7 135.11 46.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -43.04 2.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.1 mtp -65.31 -44.52 87.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.67 162.93 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -97.11 42.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.15 -152.51 12.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 49.8 mttt -104.33 164.64 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.85 139.21 17.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.75 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.6 3.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -103.03 112.5 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 81.3 m95 -86.7 132.09 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CE2' HD12 ' A' ' 44' ' ' ILE . 80.0 m-85 -129.69 153.91 47.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -69.57 143.56 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.7 t80 -39.62 -31.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -93.92 -53.9 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 80.7 m -46.1 -48.68 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 21.3 t80 -46.92 -32.49 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.8 m95 -86.58 -32.39 20.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -54.13 -52.21 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -51.77 -41.03 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.52 41.86 0.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -106.76 97.13 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 t -87.85 158.42 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.539 HD13 HG21 ' A' ' 78' ' ' VAL . 26.6 mt -140.74 112.89 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.38 -55.84 29.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 55.3 m80 -131.37 93.27 29.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.5 Cg_endo -69.8 -10.72 29.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.282 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 3.4 t0 -69.85 -39.03 76.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.11 -37.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.04 -46.65 77.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.539 HG21 HD13 ' A' ' 71' ' ' ILE . 59.1 t -96.0 120.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 35.5 t0 -72.84 131.96 42.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 119.07 -38.38 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.598 ' HA ' HD12 ' A' ' 84' ' ' LEU . 78.8 t80 -35.9 -58.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.5 t -50.32 -44.79 54.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -61.68 -41.7 97.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 81' ' ' PHE . 89.9 mt -50.66 166.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -87.94 162.64 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -45.96 -57.51 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -43.22 -62.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.43 -57.58 10.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -38.62 -44.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -69.99 -45.75 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 16.5 ttmt -54.8 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.24 -42.53 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -49.93 -54.13 21.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -63.86 -58.61 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 m -45.43 -43.73 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.5 67.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.52 -45.56 84.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.95 65.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.62 -70.08 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.32 -162.12 25.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.5 t 48.36 40.98 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.01 -75.78 1.07 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -173.8 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m -77.39 139.52 39.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.4 p -127.66 -28.63 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -117.93 171.04 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -157.82 146.42 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 -166.83 26.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -141.46 156.33 45.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -148.46 108.61 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 67.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mmt -87.75 83.95 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 119.94 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -128.49 91.79 3.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 p -55.52 -52.91 62.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -53.25 117.13 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -97.37 41.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 79' ' ' ASP . 35.6 mttp -70.26 161.89 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.8 -42.95 10.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.545 ' HB2' HG22 ' A' ' 78' ' ' VAL . 24.5 m-85 -104.57 158.31 16.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -146.73 107.4 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 41' ' ' ARG . 5.3 p -103.08 123.62 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.76 169.37 24.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -72.62 137.56 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -56.4 146.44 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -96.78 -42.19 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -144.8 159.38 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 47.77 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' ALA . 77.3 mtp85 -113.5 -54.89 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' CB ' HH12 ' A' ' 41' ' ' ARG . . . -37.27 124.58 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -97.69 155.63 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.97 136.55 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 14.9 mmtp -96.85 28.72 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.8 -53.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 30.9 p -110.45 16.37 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 p 41.05 54.91 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 19.3 mt-10 -124.41 177.71 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -99.76 126.99 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.0 mt -75.32 126.95 87.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.25 47.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.41 149.0 49.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 57.16 43.86 23.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.429 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 79.1 p -128.14 145.54 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.5 114.16 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.8 ptt180 -132.63 164.26 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.1 mtp -117.52 162.47 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.591 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -135.06 155.84 50.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.744 HG22 HG13 ' A' ' 46' ' ' VAL . 53.5 mt -137.47 112.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 3.1 mmt -69.18 105.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.744 HG13 HG22 ' A' ' 44' ' ' ILE . 27.1 m -129.75 176.28 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -113.86 134.69 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -84.31 135.34 41.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.3 mtm -82.8 -43.9 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.34 171.47 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -111.19 40.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.01 -163.37 18.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -103.96 147.25 27.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 m -133.83 134.76 23.65 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.665 0.745 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.32 7.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 46' ' ' VAL . 21.0 m170 -103.49 112.05 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.591 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 74.8 m95 -86.32 145.56 26.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.9 m-85 -145.17 130.94 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' SER . 20.2 m80 -49.37 136.52 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 33.4 t80 -35.97 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' HIS . 23.1 p -93.06 -55.33 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.2 m -46.2 -40.43 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 4.8 t80 -53.64 -34.17 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.9 m95 -88.31 16.46 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -105.02 -47.49 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.26 -27.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.14 41.18 3.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -96.09 84.99 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.2 t -56.9 148.32 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 70' ' ' SER . 89.4 mt -149.39 118.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -65.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -131.06 98.47 18.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.22 35.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.528 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.5 t70 -56.24 -40.68 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.471 HG13 ' OD2' ' A' ' 75' ' ' ASP . 27.4 m -107.88 -32.27 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.33 -49.34 27.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.593 HG12 HG12 ' A' ' 18' ' ' VAL . 58.9 t -94.68 129.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.483 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 26.2 t70 -75.95 167.1 22.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.796 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.84 -34.99 2.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 28.5 t80 -38.86 -44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -61.88 -37.56 85.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.7 mt-10 -66.61 -41.42 88.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.2 mt -51.17 147.88 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.79 162.39 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -48.29 -54.47 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.45 -60.17 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.13 -48.58 53.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -47.75 -48.22 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.97 -43.76 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 22.5 ttmt -50.79 -54.77 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.0 -43.15 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -48.02 -55.9 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -59.52 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -40.12 -52.87 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.45 -47.42 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.96 -47.05 88.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.47 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.59 97.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.39 110.77 0.56 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -64.38 126.42 27.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.12 116.36 9.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.7 27.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.258 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 t -143.26 157.02 44.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.4 m -57.91 153.59 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -77.18 -43.95 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t 42.5 42.11 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 -168.12 13.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -105.13 154.07 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.64 -47.35 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.9 95.12 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.61 166.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 126.8 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -84.0 92.15 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 p -134.29 -37.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -152.18 139.36 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -129.66 44.71 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -54.08 147.81 12.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -45.5 -53.54 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -107.94 167.02 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 50.9 ttp180 -154.66 110.71 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.475 HG12 HG12 ' A' ' 78' ' ' VAL . 9.7 p -107.9 141.32 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.8 163.29 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.6 m-85 -75.18 106.96 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.5 113.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -40.95 97.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.408 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 20.1 m -147.43 143.89 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.47 70.23 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -119.93 -54.77 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.97 157.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -121.93 145.57 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -80.25 140.09 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 2.4 mmmm -100.91 29.31 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.663 ' HD3' HG13 ' A' ' 67' ' ' VAL . 16.4 tptt -131.9 -53.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.44 -2.9 32.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m 56.0 50.69 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -127.64 171.77 11.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 m -95.59 107.58 19.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.603 HG21 ' HD3' ' A' ' 41' ' ' ARG . 26.8 mt -52.37 121.56 21.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.34 68.17 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 23' ' ' SER . 31.4 ttmt -70.82 148.01 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 63.13 41.81 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.4 tp -78.83 107.87 11.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.603 ' HD3' HG21 ' A' ' 35' ' ' ILE . 32.6 ptt180 -130.84 156.17 45.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.6 mtp -114.68 162.61 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -129.43 148.37 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 59' ' ' TYR . 48.8 mt -130.22 146.27 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 mmt -101.44 113.81 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.731 HG21 ' CE1' ' A' ' 57' ' ' HIS . 14.9 m -131.7 173.29 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -88.42 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.469 ' HB2' HG13 ' A' ' 55' ' ' VAL . 1.2 t -98.15 128.32 33.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.71 7.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.336 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 mtp -91.79 -49.63 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.513 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 4.6 p90 -127.62 166.46 18.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -78.25 46.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -136.51 -158.2 7.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -131.04 144.65 51.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' A' ' 48' ' ' SER . 29.0 m -118.33 140.0 27.55 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.731 ' CE1' HG21 ' A' ' 46' ' ' VAL . 22.9 m170 -100.02 111.99 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 86.5 m95 -86.38 140.11 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.542 ' CD2' HD12 ' A' ' 44' ' ' ILE . 68.0 m-85 -143.81 137.62 28.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -58.46 149.93 23.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.4 t80 -43.17 -34.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -90.43 -51.13 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 69.8 m -47.65 -47.74 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.733 ' CE1' HD11 ' A' ' 71' ' ' ILE . 26.4 t80 -48.8 -31.1 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.3 m95 -88.46 -28.27 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -57.0 -50.81 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.663 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.5 m -55.62 -39.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.07 47.05 0.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -103.56 83.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -64.0 149.69 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 64' ' ' PHE . 32.9 mt -138.17 117.87 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -65.42 -65.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -125.48 90.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HA ' HG23 ' A' ' 78' ' ' VAL . 53.6 Cg_endo -69.77 -18.04 37.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.6 ' OD2' HG13 ' A' ' 76' ' ' VAL . 1.3 p-10 -68.56 -27.09 65.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.6 HG13 ' OD2' ' A' ' 75' ' ' ASP . 13.1 m -116.08 -29.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -83.07 -39.03 21.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.646 HG23 ' HA ' ' A' ' 74' ' ' PRO . 21.5 t -100.62 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 142.69 39.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.17 -38.71 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 16.3 t80 -38.31 -55.34 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 p -56.23 -37.57 69.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' GLY . 25.7 mt-10 -64.21 -39.78 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.0 mt -46.68 169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' TRP . 18.4 mtm105 -86.57 151.38 23.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ARG . 76.9 t90 -34.61 -59.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.29 -65.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.46 -56.31 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -39.23 -45.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.16 -43.16 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.9 ttmt -54.1 -46.65 72.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.403 HG22 ' HE1' ' A' ' 61' ' ' PHE . 85.5 t -65.59 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -58.15 -67.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -52.93 -59.6 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.5 m -44.86 -54.3 6.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.29 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.07 -37.65 69.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.74 11.94 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.81 63.41 1.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.24 -112.85 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.1 p -82.26 144.54 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.1 -129.27 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.53 53.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -84.96 166.53 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -168.23 152.72 6.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -161.19 159.2 28.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -48.64 115.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.35 161.67 33.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -82.1 135.26 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -87.6 42.17 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 -62.28 2.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 mtm -62.84 142.17 58.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -112.42 109.56 19.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' ALA . 47.9 mm-40 -36.61 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.9 p -46.96 -44.3 19.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -57.82 148.67 24.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.02 42.04 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 26.2 mmtm -75.13 125.97 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.19 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -110.98 165.15 12.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -157.92 107.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 41' ' ' ARG . 7.8 p -100.54 136.43 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -170.13 165.2 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.2 m-85 -73.11 108.56 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.44 111.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -48.14 79.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.4 p -142.78 161.24 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.13 43.03 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -115.03 41.17 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.45 123.37 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.5 p -98.63 125.41 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.16 135.28 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 48.8 mmtt -98.72 32.04 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -131.6 -50.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.75 -6.07 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 t 60.47 48.95 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -126.1 172.32 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.2 p -93.77 116.14 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.9 mt -68.14 127.94 93.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.05 47.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 23.4 ttpt -86.79 150.12 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 38.5 t70 64.32 42.04 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 p -128.25 158.65 37.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -81.11 115.4 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 18' ' ' VAL . 30.5 ptt180 -135.94 165.17 26.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.531 ' SD ' HG11 ' A' ' 78' ' ' VAL . 1.7 mmt -116.93 169.69 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -136.64 152.83 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 HD12 ' CE2' ' A' ' 59' ' ' TYR . 77.3 mt -135.54 135.53 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mmt -93.33 103.02 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.6 170.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -96.52 126.86 42.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 130.93 72.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -14.76 36.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.351 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.3 mmm -79.21 -52.7 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -122.83 165.4 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -78.65 45.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.75 -162.36 10.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -132.91 145.1 50.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.58 138.34 31.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 123.31 9.98 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -105.67 113.0 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 81.2 m95 -86.49 131.35 34.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 60.1 m-85 -132.2 133.68 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -49.51 148.23 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 33.7 t80 -42.54 -33.39 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.0 p -93.01 -54.14 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 66' ' ' LYS . 97.3 m -45.72 -51.93 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 27.1 t80 -41.7 -34.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.1 m95 -85.31 -33.7 22.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 63' ' ' CYS . 20.1 mttp -54.19 -51.42 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -45.84 -36.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.91 40.19 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -117.04 86.11 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.322 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -83.87 150.74 25.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.971 ' O ' ' HB1' ' A' ' 96' ' ' ALA . 21.7 mt -134.35 120.89 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.76 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.65 86.64 57.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.5 33.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.565 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.9 p-10 -62.56 -38.8 91.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 77' ' ' GLU . 30.5 m -106.14 -43.53 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 76' ' ' VAL . 22.3 mt-10 -65.2 -52.44 54.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.807 ' CG2' HD13 ' A' ' 71' ' ' ILE . 57.8 t -88.61 116.78 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 6.9 t0 -68.51 164.83 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -40.47 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 2.5 t80 -39.59 -43.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -58.63 -42.19 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' GLY . 35.9 mt-10 -61.19 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 81' ' ' PHE . 47.5 mt -47.05 148.34 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -63.19 179.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.51 ' CH2' ' HG3' ' A' ' 90' ' ' GLN . 64.5 t90 -64.03 -52.0 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -47.89 -60.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.9 m-20 -50.47 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' ASP . 41.7 mt-30 -35.98 -54.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.51 ' HG3' ' CH2' ' A' ' 86' ' ' TRP . 7.6 mm100 -59.63 -42.11 91.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 18.0 ttmm -58.51 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.95 -43.19 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -48.03 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.54 -52.72 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.3 m -45.63 -50.71 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.971 ' HB1' ' O ' ' A' ' 71' ' ' ILE . . . -50.01 -50.74 46.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.27 75.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.42 -63.56 3.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.65 -64.37 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -92.5 179.35 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.63 -130.77 6.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 5.49 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.8 m -113.14 161.41 17.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.7 m -97.43 -44.09 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -168.65 162.16 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -166.5 165.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.65 -172.82 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -133.64 146.56 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -108.1 175.79 5.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.56 68.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mtp -146.28 167.0 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.86 172.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.01 93.67 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 p -113.98 -43.39 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 m -91.72 93.97 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.26 11.9 15.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.55 177.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -114.42 -45.32 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.531 ' HB2' HG22 ' A' ' 78' ' ' VAL . 48.8 m-85 -103.03 158.62 16.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -150.1 107.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.701 HG12 HG12 ' A' ' 78' ' ' VAL . 9.3 p -107.64 138.26 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -175.25 171.98 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.6 m-85 -74.53 102.59 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.86 127.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -46.18 78.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -148.99 177.28 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.52 44.37 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -110.19 29.45 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.22 139.9 53.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.4 p -108.72 147.92 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -91.48 132.31 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 1.4 mmmp? -98.07 33.27 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HD3' HG13 ' A' ' 67' ' ' VAL . 23.2 tptt -132.58 -51.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.4 p -113.06 11.92 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t 47.0 55.03 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 18.9 mt-10 -129.79 172.9 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.3 m -97.49 131.25 44.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG21 ' HD3' ' A' ' 41' ' ' ARG . 21.0 mt -77.58 128.3 80.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.94 63.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 21.2 ttpt -73.38 150.45 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.2 m-20 57.03 44.73 22.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.9 p -129.32 147.96 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.2 tp -68.97 106.47 2.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 18' ' ' VAL . 20.9 ptt180 -128.3 171.91 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.4 mtp -127.22 166.14 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -138.64 150.21 46.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.625 HD13 ' CE1' ' A' ' 69' ' ' HIS . 70.6 mt -128.83 138.34 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -100.77 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 HG22 ' A' ' 44' ' ' ILE . 27.7 m -120.61 171.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -93.6 137.86 32.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -90.05 129.84 44.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.75 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 3.13 2.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -48.64 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -126.61 171.81 10.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.61 44.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.08 -162.48 10.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -131.22 160.3 35.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 57' ' ' HIS . 29.6 m -135.73 135.63 22.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.26 7.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.379 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 55' ' ' VAL . 20.4 m170 -107.08 109.14 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.663 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 89.5 m95 -86.12 131.44 34.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -131.75 141.44 49.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' PHE . 23.4 m80 -58.71 140.23 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 39.0 t80 -35.56 -35.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.9 m -89.62 -56.56 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' LYS . 66.5 m -43.84 -53.78 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE1' HD11 ' A' ' 71' ' ' ILE . 4.8 t80 -38.46 -37.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.917 ' CH2' HD12 ' A' ' 71' ' ' ILE . 72.2 m95 -83.59 -34.25 25.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 52.6 mmtt -53.77 -48.38 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.579 HG13 ' HD3' ' A' ' 30' ' ' LYS . 17.2 m -54.52 -31.86 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.18 39.62 1.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.625 ' CE1' HD13 ' A' ' 44' ' ' ILE . 5.0 m170 -99.42 89.45 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -75.71 133.04 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.917 HD12 ' CH2' ' A' ' 65' ' ' TRP . 39.9 mt -117.48 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -52.24 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.09 86.71 53.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.712 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.588 ' HA ' HG23 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.74 -9.5 26.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.523 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 5.4 p-10 -70.27 -38.32 75.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG13 ' OD2' ' A' ' 75' ' ' ASP . 21.5 m -112.2 -30.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.56 -45.32 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.701 HG12 HG12 ' A' ' 18' ' ' VAL . 39.1 t -93.29 107.08 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' HG12 ' A' ' 18' ' ' VAL . 33.2 t0 -55.9 164.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.97 -36.55 2.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 2.8 t80 -34.29 -58.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.5 p -56.68 -38.44 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.0 mt-10 -65.07 -42.01 94.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -51.23 160.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -80.64 155.52 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -43.36 -52.79 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -48.02 -51.44 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -55.16 29.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -42.34 -50.53 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -61.97 -43.77 98.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.537 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 14.2 ttmm -54.67 -53.2 57.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' A' ' 61' ' ' PHE . 97.2 t -55.85 -57.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -39.89 -60.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -50.67 -39.66 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.533 HG21 ' NE1' ' A' ' 65' ' ' TRP . 32.2 m -69.45 -35.75 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.19 -48.72 64.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 6.9 pt-20 -57.31 -36.66 71.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . -79.99 12.4 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.33 71.47 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.61 102.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 m -105.5 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 104' ' ' SER . . . 95.75 -156.79 21.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' SER . 54.0 Cg_endo -69.81 11.4 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 102' ' ' GLY . 90.1 p -43.18 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.6 m -41.25 124.57 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 p -108.28 129.11 55.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -140.9 124.95 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.6 128.56 9.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -62.09 110.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -118.12 122.11 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.55 105.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 tpt -100.1 163.55 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 165.05 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -147.21 135.76 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 m -87.72 82.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -165.55 107.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.1 42.52 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -89.07 172.89 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -101.88 -45.97 5.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.557 ' HB2' HG22 ' A' ' 78' ' ' VAL . 63.6 m-85 -115.07 169.04 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 38.5 ttp180 -159.53 111.6 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 79' ' ' ASP . 12.9 p -104.07 141.73 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.09 153.79 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.9 m-85 -71.48 104.18 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.53 141.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -88.69 -38.57 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 25' ' ' ARG . 15.9 m -131.09 171.37 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.35 48.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 3.3 mpt_? -108.03 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -33.62 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -115.75 163.3 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 42.8 t -101.04 136.34 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 20.1 mmtp -99.34 31.92 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 7.4 tptp -132.71 -54.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.9 p -109.32 14.36 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m 43.83 55.01 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.3 mt-10 -125.44 170.43 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 m -94.94 126.14 40.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mt -75.23 127.16 86.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.744 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.43 27.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.88 155.9 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 50.71 40.36 24.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -117.11 143.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.18 112.75 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -134.24 162.51 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.427 ' SD ' HG11 ' A' ' 78' ' ' VAL . 1.4 mmt -114.54 167.84 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.07 148.31 52.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.556 HD12 ' CE2' ' A' ' 59' ' ' TYR . 66.0 mt -131.0 138.7 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.01 94.11 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 44' ' ' ILE . 29.6 m -113.46 165.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -91.78 143.32 26.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -95.34 133.87 25.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.79 2.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.5 mmm -100.39 -47.62 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -124.26 172.01 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.6 44.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.6 -161.07 10.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -132.5 142.33 49.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.65 138.52 31.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 123.13 9.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -108.4 116.45 31.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.653 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 57.9 m95 -91.45 127.97 37.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 72.2 m-85 -125.92 141.57 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' PHE . 17.3 m80 -55.54 140.29 41.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 32.2 t80 -35.76 -35.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' HIS . 45.3 m -90.83 -57.11 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.8 m -45.15 -49.8 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 67' ' ' VAL . 82.9 t80 -41.45 -36.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 67.9 m95 -84.31 -35.33 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -52.58 -50.18 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 64' ' ' PHE . 20.8 m -52.71 -34.68 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' HIS . . . 128.07 -40.62 1.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 68' ' ' GLY . 34.1 m80 -33.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -103.1 160.38 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.729 HD13 ' CG2' ' A' ' 78' ' ' VAL . 81.0 mt -140.86 125.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -80.26 -54.91 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.3 m80 -126.66 85.99 59.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.23 34.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.576 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 14.0 t0 -50.89 -43.47 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 77' ' ' GLU . 35.0 m -104.38 -41.27 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' N ' HG23 ' A' ' 76' ' ' VAL . 46.6 mt-10 -63.04 -59.0 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.729 ' CG2' HD13 ' A' ' 71' ' ' ILE . 61.2 t -79.16 130.26 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.797 ' O ' HG12 ' A' ' 18' ' ' VAL . 25.3 t0 -79.21 166.71 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.67 -35.79 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 54.6 t80 -35.33 -48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.6 p -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -66.2 -40.01 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.5 mt -53.5 167.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -86.65 151.91 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -41.05 -53.4 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -46.67 -60.35 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -47.77 76.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -46.29 -44.97 17.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -67.32 -45.46 76.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -53.68 -57.33 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -53.5 -47.24 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -56.2 -48.55 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.27 -56.67 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -51.42 -57.12 9.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.79 -46.89 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -44.94 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.97 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.91 -57.85 3.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.46 97.43 1.55 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' GLY . 51.1 p -38.68 123.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' SER . . . -38.12 108.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.17 69.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 74.7 m -155.43 157.29 36.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -47.46 110.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 p -161.8 150.73 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -65.35 -54.63 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.0 -171.92 34.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 p -171.63 151.43 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -135.75 175.26 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.95 114.3 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 mmm -115.19 167.66 10.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.84 152.71 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -120.79 148.4 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 m -92.89 -46.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -156.06 125.43 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.42 46.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -53.08 145.66 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.78 -46.73 77.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -109.92 155.54 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -149.0 108.07 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -107.5 134.99 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -164.54 173.88 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -82.03 111.76 18.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . . . -42.61 131.37 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -82.31 -40.08 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -143.92 161.51 38.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.48 47.16 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -100.43 -45.42 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 154.28 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.3 p -125.16 173.29 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.16 140.7 46.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 32.8 mmtm -106.0 33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HD3' HG13 ' A' ' 67' ' ' VAL . 15.8 tptt -133.99 -45.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.53 -13.93 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t 68.71 49.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -125.5 175.25 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -100.23 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.444 HD13 ' HD2' ' A' ' 41' ' ' ARG . 93.5 mt -65.67 124.68 88.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 147.42 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.295 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -67.68 154.29 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 57.45 42.55 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.3 p -126.63 156.13 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 tp -85.4 106.29 16.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.589 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 25.9 ptt180 -122.73 159.05 28.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.27 162.99 14.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.5 152.16 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 46' ' ' VAL . 68.5 mt -138.54 128.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 mmt -83.9 93.34 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.659 HG21 ' CE1' ' A' ' 57' ' ' HIS . 17.2 m -114.09 167.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -122.3 145.58 44.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.67 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -78.61 -41.4 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' GLY . 2.8 t80 -74.06 -1.88 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER 34.83 32.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . -160.92 -155.18 7.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -107.04 139.75 40.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.3 m -135.79 140.25 33.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.659 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.2 m170 -94.67 114.03 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 80.8 m95 -86.59 142.15 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -140.79 141.63 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -60.13 147.55 39.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 44.9 t80 -42.57 -35.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -90.31 -53.65 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 91.3 m -47.72 -53.99 13.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' A' ' 44' ' ' ILE . 84.0 t80 -40.29 -33.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.567 ' CD1' HG21 ' A' ' 95' ' ' THR . 49.1 m95 -87.71 -31.79 19.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' CYS . 42.9 mmtt -51.69 -52.14 50.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.565 HG13 ' HD3' ' A' ' 30' ' ' LYS . 6.4 m -53.28 -45.63 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 120.55 47.22 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -107.77 49.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.1 m -49.18 163.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.61 HD13 ' CG2' ' A' ' 78' ' ' VAL . 65.0 mt -147.58 131.59 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' A' ' 70' ' ' SER . 0.0 OUTLIER -77.08 -59.09 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.51 85.39 58.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.585 0.707 . . . . 0.0 110.852 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.556 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 18.8 t0 -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 77' ' ' GLU . 27.2 m -113.43 -43.7 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 76' ' ' VAL . 25.8 mt-10 -63.4 -47.62 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.61 ' CG2' HD13 ' A' ' 71' ' ' ILE . 53.0 t -92.02 136.09 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -84.94 166.84 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.12 -37.3 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 51.8 t80 -34.83 -53.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -44.4 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' GLY . 11.5 mm-40 -62.18 -37.62 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.6 mt -56.71 159.63 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -75.86 161.29 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -48.68 -52.93 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -47.87 -63.13 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.6 m-20 -51.72 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ASP . 75.0 mt-30 -35.35 -48.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.58 -53.29 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 61' ' ' PHE . 7.6 ttmm -47.25 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 90.1 t -35.58 -54.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -52.3 -53.24 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -43.07 -53.93 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 65' ' ' TRP . 30.1 m -63.56 -47.43 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.84 -48.72 59.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.17 99.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.07 82.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -50.85 99.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -95.03 99.06 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.06 167.69 24.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -8.2 23.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.2 p -62.22 129.34 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -139.13 127.52 22.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -158.33 177.74 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 m -142.72 176.9 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.44 91.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -91.02 88.9 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -134.94 146.99 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.44 49.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ptp -84.81 156.45 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.99 132.11 53.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 45.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t 48.45 41.92 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -148.47 129.76 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.62 49.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -81.93 167.9 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -97.59 -48.67 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.2 167.08 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -157.69 108.17 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.761 HG12 HG12 ' A' ' 78' ' ' VAL . 13.6 p -101.66 140.76 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.45 171.11 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -79.87 112.22 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.06 125.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -70.38 -50.76 35.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 m -137.64 171.56 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.85 69.66 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -125.9 -45.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.631 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . . . -55.63 143.85 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 35' ' ' ILE . 4.4 m -111.58 178.9 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.1 t -117.35 130.05 56.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 41.0 mmtt -95.28 37.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.485 ' HD3' ' CG1' ' A' ' 67' ' ' VAL . 12.4 tptt -134.99 -49.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -106.27 -18.16 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t 73.62 48.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.25 175.59 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.6 p -96.98 109.21 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 27' ' ' SER . 76.0 mt -54.85 120.91 31.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.16 68.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -76.74 151.07 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.43 39.25 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -124.97 160.93 27.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.82 104.2 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.631 ' NH1' ' HB3' ' A' ' 26' ' ' ALA . 22.8 ptt180 -122.64 160.19 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.643 ' CE ' ' CE2' ' A' ' 64' ' ' PHE . 1.2 mmt -113.05 169.91 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.56 148.85 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.644 HG22 HG13 ' A' ' 46' ' ' VAL . 83.8 mt -134.7 127.5 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 2.7 mmt -88.8 101.94 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.685 HG21 ' CE1' ' A' ' 57' ' ' HIS . 31.2 m -122.61 169.68 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 10.4 tm0? -98.18 108.01 20.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.44 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 5.9 t -78.98 133.58 61.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.74 37.57 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.0 mtm -90.72 -45.87 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -78.35 166.01 23.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -97.32 41.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.02 -134.88 2.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -111.04 147.21 35.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.524 HG23 ' CD2' ' A' ' 57' ' ' HIS . 33.2 m -127.63 135.18 27.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 117.73 5.26 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.685 ' CE1' HG21 ' A' ' 46' ' ' VAL . 24.4 m170 -99.33 114.05 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.496 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 94.7 m95 -86.34 123.7 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CE2' HD12 ' A' ' 44' ' ' ILE . 58.5 m-85 -125.81 132.98 52.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -50.04 166.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.3 t80 -56.55 -40.93 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 m -86.84 -45.97 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.7 m -55.64 -45.16 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.643 ' CE2' ' CE ' ' A' ' 42' ' ' MET . 74.6 t80 -47.32 -31.76 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.4 m95 -91.61 -31.87 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -58.4 -52.05 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.485 ' CG1' ' HD3' ' A' ' 30' ' ' LYS . 24.2 m -40.56 -32.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.15 44.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -116.29 113.68 23.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -96.12 160.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.512 HG23 ' OE1' ' A' ' 77' ' ' GLU . 86.1 mt -147.12 127.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -78.86 -57.37 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -125.07 89.62 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.95 27.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 39.5 t0 -64.91 -38.56 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -107.74 -38.08 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.512 ' OE1' HG23 ' A' ' 71' ' ' ILE . 17.5 mt-10 -64.43 -52.67 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.761 HG12 HG12 ' A' ' 18' ' ' VAL . 67.9 t -85.29 117.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' VAL . 43.8 t0 -75.97 134.88 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.38 -36.36 4.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 49.9 t80 -38.99 -47.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 -38.57 75.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -64.61 -42.07 95.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -45.38 155.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -63.24 167.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -60.43 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.7 -62.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.18 -54.28 8.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -40.68 -47.85 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 15.3 mt-30 -58.62 -40.19 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 17.3 ttmm -54.44 -51.61 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.53 -39.99 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 90' ' ' GLN . 19.6 mmmt -45.36 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 91' ' ' LYS . 10.6 pttt -64.39 -55.61 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.4 m -40.83 -42.58 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.16 85.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.89 -44.14 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.18 87.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.29 40.91 8.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.57 129.58 5.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -65.84 95.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.87 -155.5 21.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.17 69.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.2 p -56.9 115.68 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -109.24 98.34 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -154.73 131.71 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -174.61 128.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 66.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -60.87 170.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m -91.13 156.94 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.78 166.05 12.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.7 mtt -46.3 147.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.24 128.51 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.05 145.01 37.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.7 m -65.69 102.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -159.07 161.22 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.65 41.67 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 163.11 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -95.09 -42.73 8.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -120.3 176.25 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 58.5 ttp180 -159.0 107.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.633 HG12 HG12 ' A' ' 78' ' ' VAL . 11.4 p -106.75 130.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.22 167.2 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 21' ' ' ALA . 41.9 m-85 -73.12 109.36 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -33.26 143.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -90.64 -44.06 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -149.45 170.89 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.56 40.65 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 5.0 ptp180 -99.16 -33.29 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -60.83 145.37 50.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 p -115.89 154.24 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -101.08 127.62 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 31.7 mmtm -90.21 17.44 7.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD3' HG13 ' A' ' 67' ' ' VAL . 13.5 tptp -114.84 -53.36 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.54 1.84 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t 52.57 49.49 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -123.45 171.72 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 m -97.19 102.21 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -48.26 128.32 12.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.33 66.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.31 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -71.28 145.32 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.33 50.79 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.51 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 48.7 p -135.86 144.74 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.61 116.08 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.0 ptt180 -135.52 167.31 21.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.418 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 34.1 mtp -119.67 167.99 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.67 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.24 148.29 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.698 HG22 HG13 ' A' ' 46' ' ' VAL . 77.4 mt -131.89 123.97 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.09 93.94 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 44' ' ' ILE . 27.5 m -115.98 177.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -96.29 135.88 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.455 ' HB2' HG13 ' A' ' 55' ' ' VAL . 8.6 t -82.93 129.2 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.97 13.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.5 mmm -91.59 -50.89 5.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.6 165.43 17.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -77.89 45.44 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.0 -162.98 10.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -125.72 152.75 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' ' 48' ' ' SER . 27.0 m -138.57 135.52 18.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.72 2.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.4 OUTLIER -90.26 112.69 24.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.67 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 87.9 m95 -86.3 128.21 34.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 57' ' ' HIS . 67.8 m-85 -131.29 135.38 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -52.94 149.8 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.592 ' HE1' HG22 ' A' ' 92' ' ' VAL . 22.9 t80 -43.43 -35.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -91.34 -55.91 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 64.2 m -40.18 -43.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.603 ' CZ ' HD11 ' A' ' 71' ' ' ILE . 18.3 t80 -52.58 -40.79 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.5 m95 -85.07 15.49 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -106.4 -43.06 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.528 HG13 ' HD3' ' A' ' 30' ' ' LYS . 15.4 m -59.67 -30.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.15 42.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.413 ' CD2' HD13 ' A' ' 44' ' ' ILE . 9.1 m-70 -103.55 96.15 6.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.0 p -74.3 152.18 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 84.7 mt -146.22 121.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.17 -69.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -118.74 93.5 46.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -12.45 32.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 7.1 p-10 -65.27 -41.06 94.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.48 -38.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.05 -55.61 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.633 HG12 HG12 ' A' ' 18' ' ' VAL . 67.1 t -83.89 104.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.99 142.1 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 99.6 -41.47 2.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.612 ' HA ' HD12 ' A' ' 84' ' ' LEU . 12.9 t80 -38.15 -46.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -53.1 -42.47 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -61.19 -42.22 98.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 81' ' ' PHE . 60.3 mt -46.74 142.59 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -60.89 163.9 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -49.79 -49.74 47.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -52.2 -60.96 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' GLN . 5.2 m-20 -52.76 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' ASP . 89.0 mt-30 -35.88 -45.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -67.42 -51.95 45.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.1 ttmt -44.29 -52.02 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 ' HE1' ' A' ' 61' ' ' PHE . 97.1 t -61.29 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -47.25 -53.86 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -51.7 -55.15 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.8 m -55.41 -53.76 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.04 -50.01 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -53.43 -46.36 69.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.13 89.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.61 -65.49 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.55 76.11 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.6 t -171.79 120.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 103' ' ' PRO . . . -124.02 95.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.79 159.53 53.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.374 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' PRO . 3.2 t 35.86 41.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.3 p -100.58 155.83 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -168.27 142.21 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 p -161.32 176.16 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 97.44 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -145.58 120.88 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -83.59 177.18 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.06 143.72 8.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mmm -107.32 122.22 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.99 85.12 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.82 97.38 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.7 m 44.91 42.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -148.8 128.87 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.97 42.23 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -68.4 171.56 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.3 -40.52 6.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' HB2' HG22 ' A' ' 78' ' ' VAL . 47.5 m-85 -102.47 154.53 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -153.51 112.54 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 41' ' ' ARG . 3.6 p -112.16 133.75 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -163.87 168.88 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.0 m-85 -76.33 109.44 10.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -36.56 140.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -88.23 -46.43 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -141.5 144.73 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 72.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -125.42 -47.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.27 164.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -138.47 169.83 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 14.3 t -110.85 159.45 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 mmtp -110.63 -37.08 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD2' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -51.78 -37.75 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.02 -19.69 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 69.77 47.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.87 -176.14 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -98.55 134.57 41.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.26 129.26 56.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -82.49 149.59 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 57.04 44.5 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -127.21 155.98 42.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.91 116.65 17.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.785 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.0 ptt180 -133.9 169.25 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 45.1 mtp -126.07 162.53 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.57 148.83 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.661 HG22 HG13 ' A' ' 46' ' ' VAL . 87.2 mt -136.21 128.0 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 mmt -87.97 98.28 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.661 HG13 HG22 ' A' ' 44' ' ' ILE . 31.6 m -116.75 174.36 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.53 157.78 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -111.66 128.19 25.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.21 5.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -95.48 -44.59 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -130.42 173.06 11.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.12 45.93 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.8 -165.95 10.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -125.95 159.71 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.656 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 m -138.97 137.13 19.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.656 ' CD2' HG23 ' A' ' 55' ' ' VAL . 23.6 m170 -95.81 117.52 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -90.5 130.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CD2' HD12 ' A' ' 44' ' ' ILE . 79.4 m-85 -129.57 137.11 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' PHE . 45.7 m80 -58.57 139.52 55.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 35.3 t80 -32.4 -40.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -84.85 -52.15 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.4 m -44.0 -42.14 5.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' HD11 ' A' ' 71' ' ' ILE . 7.5 t80 -54.93 -36.17 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.6 m95 -88.84 10.32 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' SER . 46.8 mmtt -100.05 -44.97 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 30' ' ' LYS . 6.9 m -55.02 -45.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 116.18 43.79 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.636 ' NE2' HD13 ' A' ' 44' ' ' ILE . 14.8 m-70 -85.1 151.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.7 m -117.2 119.8 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.556 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 76.6 mt -127.35 110.06 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -71.2 -73.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.96 94.26 28.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.818 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.75 14.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.571 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 t0 -75.8 -36.57 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.39 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -69.68 -46.91 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 16' ' ' TYR . 93.6 t -95.47 132.76 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.14 160.43 24.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 79.15 -41.87 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 30.4 t80 -34.36 -55.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -41.62 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.2 mt-10 -61.71 -41.41 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 81' ' ' PHE . 89.1 mt -46.74 163.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 85' ' ' ARG . 2.0 mpt_? -78.34 157.05 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.515 ' CE3' ' N ' ' A' ' 87' ' ' ASP . 20.6 t90 -39.13 -58.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.515 ' N ' ' CE3' ' A' ' 86' ' ' TRP . 36.0 t70 -41.9 -62.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -54.49 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -44.86 -46.08 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -72.85 -42.71 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -62.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -42.73 -48.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -49.32 -66.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -39.56 -63.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.5 HG21 ' NE1' ' A' ' 65' ' ' TRP . 65.3 m -49.89 -53.15 27.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.22 -54.01 24.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.62 -50.44 60.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 40.19 72.63 0.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.86 140.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.7 p -96.99 115.79 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.3 126.89 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 147.89 63.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.8 p -149.46 120.59 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.1 m -96.07 128.02 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -103.8 91.08 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.2 p -120.75 136.22 54.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.57 79.52 0.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -79.31 44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -116.16 109.5 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 -67.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.4 mmm -69.94 127.5 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.55 144.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -96.57 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.6 m 48.07 41.7 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -141.51 112.74 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.43 41.36 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 38.4 mmtm -80.86 125.44 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.52 -43.31 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -123.23 163.44 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -152.59 108.94 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 78' ' ' VAL . 14.9 p -101.82 120.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -149.46 173.09 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.59 111.38 19.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.03 114.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -45.12 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -138.63 161.17 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.66 44.12 3.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -111.7 38.87 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.1 161.27 24.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -128.25 129.46 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 50.4 t -77.45 132.84 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -95.66 35.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 14.3 tptt -135.05 -52.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -100.82 -13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t 67.91 46.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -126.07 173.84 8.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 p -93.14 104.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.3 mt -52.48 130.24 44.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.46 67.66 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 36.1 ttpt -77.88 160.58 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 6.7 p-10 46.15 42.35 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.6 p -123.61 152.28 42.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.05 109.97 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.548 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 21.3 ptt180 -128.89 164.09 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.533 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -113.61 168.63 9.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.63 149.75 46.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.848 HD12 ' CE2' ' A' ' 59' ' ' TYR . 41.9 mt -138.82 122.06 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.41 101.5 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 44' ' ' ILE . 24.8 m -119.95 170.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -98.48 118.1 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -75.6 128.19 84.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.73 15.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.2 mtp -83.54 -43.93 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 172.55 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -103.48 41.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.61 -154.16 14.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -101.2 154.32 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 57' ' ' HIS . 28.7 m -136.57 137.78 24.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 113.45 3.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.288 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 17.6 m170 -95.63 111.71 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 93.1 m95 -86.46 133.72 33.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.848 ' CE2' HD12 ' A' ' 44' ' ' ILE . 97.3 m-85 -131.66 150.39 52.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 22.3 m80 -68.45 158.45 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.7 t80 -46.25 -39.9 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 81.8 p -89.7 -50.3 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 60' ' ' HIS . 69.7 m -46.0 -50.07 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 55.3 t80 -48.58 -34.12 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.2 m95 -85.43 -32.47 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -54.42 -52.19 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 68' ' ' GLY . 25.1 m -48.4 -42.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 115.8 45.73 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -106.63 94.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.6 m -82.24 151.77 26.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.712 HG23 ' OE1' ' A' ' 77' ' ' GLU . 90.5 mt -145.64 118.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -70.47 -58.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 -117.67 86.86 24.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.25 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.567 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 7.3 p-10 -73.96 -42.65 60.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.36 -32.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 71' ' ' ILE . 39.4 mt-10 -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 18' ' ' VAL . 82.4 t -81.37 114.03 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 22.0 t0 -68.62 111.25 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 135.43 -37.74 1.88 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 59.5 t80 -34.79 -49.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -63.34 -40.81 98.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' GLY . 39.9 mt-10 -66.0 -40.78 91.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.5 mt -52.04 164.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -73.88 165.48 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -58.81 -49.74 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -58.52 -61.78 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -46.12 -51.61 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.4 -43.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -64.22 -42.07 96.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -53.8 -43.78 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.01 -40.7 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -45.1 -57.48 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -59.4 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.5 m -39.21 -46.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.23 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.51 -33.54 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.8 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.46 46.25 1.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.43 130.28 8.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.2 p -93.32 163.41 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.54 152.74 24.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' SER . 36.0 p -83.4 42.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 49.0 p -37.23 151.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -160.07 140.58 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -129.31 172.59 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.34 -89.16 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m 55.82 42.03 29.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -131.24 165.4 23.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 165.54 20.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -106.21 143.86 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.62 97.64 11.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -97.26 117.18 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 p -45.07 101.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -147.21 140.06 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 12.85 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -80.1 176.12 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -114.11 -42.27 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -109.19 156.83 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -148.08 109.85 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.57 HG11 HD11 ' A' ' 84' ' ' LEU . 7.7 p -102.98 132.33 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.85 149.94 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.8 m-85 -62.46 106.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -34.58 139.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.073 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -95.71 -41.83 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 p -134.02 141.34 47.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 45.19 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 25.7 ptt180 -102.86 -38.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -58.99 130.93 49.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 m -99.05 179.37 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.07 136.68 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.5 mmtt -98.38 31.08 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HD3' HG13 ' A' ' 67' ' ' VAL . 8.9 tptp -130.48 -54.9 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.3 p -100.12 -17.59 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 71.19 54.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.58 173.61 11.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -95.65 115.4 27.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -67.47 130.6 93.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 158.79 55.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -78.0 156.71 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 52.02 41.75 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.448 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 30.0 p -119.61 157.15 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.18 106.42 14.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 37.6 ptt180 -130.81 166.89 19.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtp -121.29 160.86 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.56 151.34 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.517 HG22 HG13 ' A' ' 46' ' ' VAL . 59.1 mt -134.03 130.16 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mmt -86.94 103.54 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.517 HG13 HG22 ' A' ' 44' ' ' ILE . 21.9 m -121.62 174.55 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -108.94 124.5 50.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.5 t -86.48 135.0 36.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -26.61 27.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.377 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 mmt -89.88 -42.95 10.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.7 165.74 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -101.17 41.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.78 -155.1 18.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -99.71 153.58 18.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.3 m -133.28 136.6 27.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 112.92 3.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.409 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -95.36 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 96.0 m95 -87.3 137.3 32.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.0 m-85 -140.45 136.4 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.22 144.06 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.3 t80 -39.07 -37.9 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 t -87.11 -52.82 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 62.6 m -45.89 -52.95 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 17.1 t80 -41.8 -37.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 72.1 m95 -80.66 -35.06 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -52.82 -50.64 63.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 64' ' ' PHE . 16.3 m -54.35 -32.4 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.95 41.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 8.6 m-70 -101.55 87.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 p -75.4 148.49 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.514 HD12 ' CH2' ' A' ' 65' ' ' TRP . 50.6 mt -134.05 103.47 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 72' ' ' ARG . 4.0 mmt180 -51.43 -60.17 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 93.5 m-70 -129.26 95.03 31.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.1 Cg_endo -69.77 -4.8 14.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.5 t70 -78.25 -37.53 44.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -109.41 -28.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -72.41 -57.17 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.7 t -74.67 137.04 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -88.54 114.92 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.15 35.28 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 87.9 t80 -85.12 -55.72 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -50.24 -34.65 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD11 HG11 ' A' ' 18' ' ' VAL . 82.9 mt -47.9 142.22 5.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.56 155.31 33.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -40.98 -55.97 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -49.19 -45.65 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.99 -51.46 58.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.55 -45.25 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.44 -43.16 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -57.19 -55.85 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.0 t -51.91 -51.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.41 -62.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' GLU . 22.0 mtpt -48.38 -44.24 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 32.8 m -66.42 -35.33 80.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -50.51 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 9.8 pt-20 -56.91 -38.74 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.512 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . -73.13 -44.05 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.23 38.71 3.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.45 -125.63 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -59.08 103.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.01 148.97 19.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.66 2.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.0 p -69.27 116.49 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 t -139.95 117.19 11.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -143.99 117.57 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -131.96 173.0 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 47.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -90.65 93.75 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -52.65 151.4 4.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.74 71.44 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 ttt -76.08 139.3 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.08 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -129.01 152.45 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -85.2 -52.86 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 m -78.9 110.72 14.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -86.31 70.85 10.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.1 177.72 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -114.09 -44.7 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -102.62 166.94 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 61.0 ttm-85 -154.89 149.72 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 78' ' ' VAL . 13.0 p -148.24 126.19 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -160.66 163.88 32.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.8 m-85 -74.47 106.41 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.08 137.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -80.53 -41.48 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -151.6 172.88 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.07 70.57 1.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.12 -55.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 58' ' ' TRP . . . -54.63 156.03 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 m -121.84 173.27 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 21.2 mmtp -90.99 15.01 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HD3' HG13 ' A' ' 67' ' ' VAL . 6.7 tptm -113.87 -60.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -103.5 19.63 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' CYS . 3.7 t 38.11 54.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.1 mt-10 -123.01 -176.34 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -103.72 131.68 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -81.28 120.94 79.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.02 67.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 48.9 tttt -76.17 148.45 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.7 t70 64.35 43.16 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.8 p -130.13 150.84 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.97 112.05 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.2 ptt180 -131.46 170.22 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -124.05 173.94 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -146.34 146.28 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.732 HD11 ' CE2' ' A' ' 64' ' ' PHE . 3.8 mp -132.33 129.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -80.9 111.51 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.3 m -133.89 172.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.25 140.47 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -101.19 140.83 21.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -26.62 27.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.6 mmt -83.54 -45.44 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -84.34 171.44 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.26 40.68 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.98 -160.88 13.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -101.8 145.83 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -129.96 139.51 35.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.7 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CE1' HG21 ' A' ' 46' ' ' VAL . 6.7 m170 -96.16 111.63 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 89.3 m95 -86.13 143.59 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 64.7 m-85 -146.12 140.76 26.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -58.61 146.44 36.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 31.3 t80 -39.52 -34.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.4 p -91.36 -56.43 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 87.1 m -44.29 -41.41 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 44' ' ' ILE . 50.3 t80 -55.0 -35.61 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 57.2 m95 -84.28 -33.26 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -55.25 -51.92 65.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.471 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.7 m -50.97 -45.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 125.12 36.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 21.9 m-70 -91.29 45.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.325 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.449 ' C ' HG13 ' A' ' 71' ' ' ILE . 24.5 m -49.08 150.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD13 ' CG2' ' A' ' 78' ' ' VAL . 61.5 mt -147.44 131.61 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -121.23 85.3 41.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.43 34.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.573 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.3 t70 -62.39 -33.56 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.45 -39.11 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -66.55 -46.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 18' ' ' VAL . 55.1 t -93.77 125.12 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.24 153.37 34.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 92.76 -37.7 3.33 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 84.4 t80 -34.34 -55.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.365 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -51.88 -41.32 61.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' GLY . 37.2 mt-10 -61.32 -42.62 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -45.05 170.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.41 165.25 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -51.45 -50.24 60.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.64 -63.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.8 m-20 -50.52 -56.42 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -40.56 -46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -63.88 -38.63 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 19.9 ttmt -58.14 -53.1 62.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.95 -38.88 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.96 -67.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.56 -54.93 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.3 m -39.39 -45.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.43 64.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.26 -45.74 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.19 51.78 4.04 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.98 127.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -74.47 165.42 25.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.843 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.77 174.57 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.5 m -87.49 -49.87 6.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.1 m 62.3 43.2 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -113.56 153.96 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 p -155.63 152.24 28.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.49 162.89 26.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -145.38 145.33 31.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -121.46 158.1 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.15 -138.24 2.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.6 tpp -160.65 120.4 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.96 93.48 3.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -148.04 150.36 33.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -80.18 44.22 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -130.48 111.7 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.49 43.01 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -78.03 131.49 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.09 -46.18 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.683 ' HB2' HG22 ' A' ' 78' ' ' VAL . 41.0 m-85 -122.61 170.51 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 47.1 ttt180 -157.83 108.17 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG12 HG12 ' A' ' 78' ' ' VAL . 13.4 p -103.29 128.54 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -158.71 169.59 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ALA . 28.5 m-85 -78.98 115.12 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -34.22 117.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.02 -45.39 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -141.13 172.2 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.46 43.15 2.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -103.92 -60.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.1 126.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.7 p -95.52 165.04 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 44.3 t -100.05 135.21 41.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 24.6 mmmt -99.04 32.74 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD3' HG13 ' A' ' 67' ' ' VAL . 20.8 tptt -132.66 -51.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 32.1 p -114.78 15.09 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 t 42.58 55.0 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.9 mt-10 -123.53 172.02 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.9 p -98.94 106.3 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -51.52 119.72 13.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.07 62.29 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -70.93 150.14 46.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 62.59 43.23 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 p -132.54 142.26 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.14 116.3 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -132.9 173.33 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 mmt -126.25 168.59 13.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.658 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -139.53 113.14 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.639 HD12 ' CD2' ' A' ' 59' ' ' TYR . 41.3 mt -97.59 130.5 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.7 mmm -92.11 100.43 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 44' ' ' ILE . 27.7 m -121.01 168.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 48' ' ' SER . 0.5 OUTLIER -97.21 124.51 41.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 16.5 t -78.35 144.34 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.903 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -42.17 3.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.1 mmm -77.81 -43.91 29.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.93 172.29 12.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -117.34 40.82 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.74 -157.1 9.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -104.11 137.87 41.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.1 137.65 26.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.726 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' A' ' 46' ' ' VAL . 21.4 m170 -105.64 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.658 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 88.6 m95 -86.62 128.32 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.639 ' CD2' HD12 ' A' ' 44' ' ' ILE . 52.8 m-85 -130.41 144.19 51.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -61.64 145.02 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 45.8 t80 -37.91 -33.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 98.7 p -93.14 -51.83 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 63.5 m -46.98 -45.62 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.627 ' HZ ' HD11 ' A' ' 71' ' ' ILE . 56.4 t80 -51.97 -33.59 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.9 m95 -83.71 -34.82 24.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -54.37 -51.4 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG13 ' HD3' ' A' ' 30' ' ' LYS . 3.5 m -52.9 -25.96 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.22 47.03 2.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.52 50.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -46.57 163.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.627 HD11 ' HZ ' ' A' ' 64' ' ' PHE . 96.3 mt -145.68 125.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -64.11 -62.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 81.2 m-70 -130.01 91.4 39.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.9 Cg_endo -69.73 -15.64 37.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.537 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 42.8 t0 -58.76 -44.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.74 -29.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.98 -47.15 39.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 16' ' ' TYR . 87.0 t -92.94 126.4 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.81 130.07 35.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 117.03 -37.19 3.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 78.7 t80 -37.76 -61.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.4 t -46.92 -42.3 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.813 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.0 -41.7 99.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 81' ' ' PHE . 96.0 mt -49.48 153.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -64.91 173.35 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -61.77 -58.88 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -47.64 -53.44 14.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.76 -49.99 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -43.94 -44.8 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.72 -38.78 80.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -58.48 -57.72 11.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.37 -41.21 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -52.7 -70.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -50.83 -55.91 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -44.03 -47.1 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.09 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -52.59 -45.15 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.31 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.27 84.86 1.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.438 ' CA ' ' HB3' ' A' ' 65' ' ' TRP . . . 73.47 128.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -121.96 94.74 4.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -178.18 102.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.6 t -79.49 83.67 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 t 44.05 44.44 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -129.7 157.45 42.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -62.79 155.2 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.62 47.63 2.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 m -89.74 105.97 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -103.08 176.66 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.63 90.22 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpp -121.06 95.14 4.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.77 168.69 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.06 90.38 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t 44.22 42.11 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -99.7 81.34 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.67 80.45 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -116.37 141.59 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.72 -44.94 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.93 154.44 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 21.8 ttm180 -155.09 107.3 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG12 HG12 ' A' ' 78' ' ' VAL . 4.6 p -100.21 127.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -148.43 177.19 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.477 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 42.6 m-85 -92.57 104.06 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.17 130.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -81.57 -38.93 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 p -136.07 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.47 45.84 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 26' ' ' ALA . 67.5 mtp180 -101.22 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.809 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -34.53 136.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -106.62 168.11 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -99.64 137.54 37.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 20.0 mmmt -100.38 32.29 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HD3' HG13 ' A' ' 67' ' ' VAL . 25.4 tptt -133.67 -52.02 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -108.66 4.78 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m 52.71 54.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.8 mt-10 -128.7 174.71 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -97.81 130.55 44.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.47 130.06 75.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.74 65.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -76.71 155.07 33.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 50.95 51.71 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -132.55 164.88 25.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.27 112.57 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' NH1' ' CB ' ' A' ' 26' ' ' ALA . 26.1 ptt180 -129.31 168.1 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 22.5 mtp -118.45 168.52 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -138.46 114.83 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.63 HD12 ' CE2' ' A' ' 59' ' ' TYR . 70.5 mt -103.12 130.48 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.9 mmm -92.97 102.3 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 57' ' ' HIS . 18.6 m -116.67 172.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -100.78 134.88 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.459 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 2.0 m -82.3 135.56 47.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -14.84 36.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mtm -79.02 -52.96 7.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 48' ' ' SER . 1.7 p90 -122.67 160.47 25.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.92 46.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.0 -159.88 10.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -135.62 162.68 32.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.509 HG23 ' CD2' ' A' ' 57' ' ' HIS . 17.1 m -147.75 139.28 13.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.8 m170 -104.54 114.19 28.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -86.86 136.28 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.63 ' CE2' HD12 ' A' ' 44' ' ' ILE . 73.2 m-85 -132.62 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' SER . 19.5 m80 -73.65 133.88 43.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.6 t80 -34.0 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 60' ' ' HIS . 26.6 t -90.74 -54.79 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 58.7 m -45.28 -43.79 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 12.0 t80 -53.35 -33.6 54.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 54.3 m95 -87.84 16.66 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -108.25 -45.3 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.676 HG13 ' HD3' ' A' ' 30' ' ' LYS . 5.9 m -58.15 -35.2 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.34 43.82 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -97.96 85.64 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 m -69.43 151.12 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.62 HD13 HG21 ' A' ' 78' ' ' VAL . 71.6 mt -144.89 116.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 72' ' ' ARG . 26.7 mtt180 -70.32 -56.35 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -127.18 92.29 44.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.21 2.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.572 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -84.05 -41.56 17.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 m -108.9 -30.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -76.74 -42.79 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 71' ' ' ILE . 99.6 t -98.65 100.1 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.46 166.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 79.2 -42.42 2.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.689 ' HA ' HD12 ' A' ' 84' ' ' LEU . 71.3 t80 -37.06 -54.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -51.52 -42.54 61.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 80' ' ' GLY . 22.8 mt-10 -61.35 -41.68 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 81' ' ' PHE . 46.6 mt -51.46 156.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -74.43 155.75 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -42.3 -51.45 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.66 -53.47 24.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.4 -49.91 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.554 ' HA ' ' CE1' ' A' ' 81' ' ' PHE . 61.1 mt-30 -43.39 -46.48 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.5 -46.4 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -51.44 -47.49 63.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -42.5 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -56.6 -57.84 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -50.47 -62.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.8 m -51.82 -50.78 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.17 -55.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.98 -45.68 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.1 85.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.42 -49.73 2.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.03 142.57 15.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.3 p -112.22 102.42 10.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.3 151.85 28.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 86.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -157.54 152.38 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.8 m -40.89 103.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.83 0.348 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -101.77 155.88 17.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -154.07 108.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.53 131.14 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -162.93 148.39 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.7 m-85 -59.5 113.51 2.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . . . -35.91 143.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -95.11 -42.65 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 t -138.92 171.33 14.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.29 46.83 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -111.87 -42.78 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.49 129.89 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.6 p -98.84 163.92 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 t -113.31 139.22 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 16.5 mmmt -102.35 32.52 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HD2' HG13 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -132.2 -43.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.38 -4.69 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 m 56.88 52.45 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -128.82 173.99 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.0 p -98.98 104.49 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -49.55 127.07 17.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.04 61.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -77.69 141.73 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 67.52 39.55 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.427 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 90.8 p -122.59 146.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 tp -72.58 110.74 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 31.7 ptt180 -130.43 157.34 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.509 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 39.3 mtp -113.74 168.13 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.8 148.48 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.669 HD12 ' CD2' ' A' ' 59' ' ' TYR . 48.9 mt -136.9 133.14 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mmt -91.79 109.44 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 57' ' ' HIS . 12.4 m -125.3 158.15 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.68 112.99 25.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.842 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.3 mttm . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.45 139.55 35.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 114.03 3.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.7 m170 -100.61 113.39 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 81.5 m95 -86.57 132.2 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' HD12 ' A' ' 44' ' ' ILE . 62.0 m-85 -132.72 131.52 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -49.56 157.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 29.0 t80 -46.0 -36.72 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p -91.47 -51.99 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 64.5 m -42.67 -47.31 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 25.4 t80 -51.56 -35.57 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' HD12 ' A' ' 71' ' ' ILE . 56.0 m95 -84.66 -33.43 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . 29.8 mttt -53.76 -52.3 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.508 HG13 ' HD2' ' A' ' 30' ' ' LYS . 25.3 m -51.08 -35.55 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 42.89 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.469 ' HD2' HG21 ' A' ' 67' ' ' VAL . 18.1 m-70 -104.17 83.45 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD12 ' CH2' ' A' ' 65' ' ' TRP . 28.5 mt -139.16 122.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -74.46 -64.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -116.02 83.3 12.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.9 15.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.1 t70 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.61 -39.43 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.31 -44.25 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 71' ' ' ILE . 63.3 t -97.12 122.17 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -68.41 164.91 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -39.04 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 27.0 t80 -34.81 -58.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -55.65 -38.93 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -64.58 -42.03 95.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.39 159.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -74.77 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -52.47 -54.74 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -46.5 -62.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.42 -54.39 17.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -44.08 -51.12 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -63.4 -43.36 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 32.8 tttt -55.65 -58.42 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.4 -39.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -60.5 -53.43 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -52.33 -42.26 63.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.464 HG21 ' NE1' ' A' ' 65' ' ' TRP . 20.9 m -69.09 -58.44 4.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 71' ' ' ILE . . . -41.29 -47.39 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.57 -47.08 85.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.78 0.324 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.402 ' HB2' HG22 ' A' ' 78' ' ' VAL . 72.5 m-85 -104.82 153.6 21.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -149.19 107.05 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 41' ' ' ARG . 13.7 p -106.41 123.21 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -158.42 173.06 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -78.87 113.75 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.68 132.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -76.84 -42.56 39.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -152.64 161.09 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.67 48.46 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -100.7 -47.67 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 152.22 23.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.6 m -117.05 173.14 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 41.0 t -105.62 138.11 42.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 50.7 mmtt -99.32 30.59 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 9.5 tptt -131.61 -53.29 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.3 p -110.89 15.11 21.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t 42.25 55.07 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 8.8 mm-40 -123.34 167.57 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.28 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.448 HG21 ' HD3' ' A' ' 41' ' ' ARG . 45.8 mt -50.75 126.98 25.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.666 0.746 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.57 65.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.93 141.51 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 68.96 42.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 p -128.53 159.4 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.11 119.58 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 18' ' ' VAL . 36.8 ptt180 -138.47 172.98 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.0 mtp -129.13 167.97 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -133.94 153.33 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.544 HD11 ' CE2' ' A' ' 64' ' ' PHE . 66.3 mt -140.68 127.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.35 108.12 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.9 m -126.66 170.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 6.6 tm0? -101.56 122.91 44.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.831 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.559 HG23 ' CD2' ' A' ' 57' ' ' HIS . 22.3 m -139.9 142.16 29.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 112.18 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.609 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.1 m170 -94.79 110.24 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 95.6 m95 -86.27 128.64 34.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.6 m-85 -128.24 150.06 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.8 m80 -69.02 139.94 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 46.5 t80 -34.02 -33.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.2 m -92.97 -54.99 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.2 m -45.97 -50.23 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 44' ' ' ILE . 8.5 t80 -44.63 -32.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 63.7 m95 -85.67 -34.97 21.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -52.71 -52.01 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -48.53 -37.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 45.52 0.99 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -110.04 87.07 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.408 ' C ' HG13 ' A' ' 71' ' ' ILE . 65.0 p -71.84 161.18 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 70' ' ' SER . 77.7 mt -147.08 114.91 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -60.08 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -125.19 89.19 53.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.56 34.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.4 p-10 -61.58 -41.73 97.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.02 -39.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.11 -44.7 94.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG22 ' HB2' ' A' ' 16' ' ' TYR . 58.6 t -95.43 127.25 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.27 152.21 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 90.65 -37.83 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 14.1 t80 -36.69 -48.85 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 t -56.69 -43.07 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 mt-10 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.4 mt -44.0 153.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -67.66 157.63 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -45.1 -59.53 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -49.89 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -51.28 -54.25 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -43.9 -48.7 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.96 -43.32 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.6 ttmt -56.03 -52.17 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.56 -47.18 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -59.08 -51.33 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -56.36 -49.1 75.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.9 m -61.52 -51.05 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.69 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -54.39 -45.28 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.771 0.32 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.776 ' HB2' HG22 ' A' ' 78' ' ' VAL . 39.5 m-85 -108.08 153.6 22.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -153.95 107.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 41' ' ' ARG . 11.0 p -100.12 142.77 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -171.36 161.0 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ALA . 35.3 m-85 -71.63 109.97 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -35.12 114.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -63.43 -37.58 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -152.68 154.71 35.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.09 62.05 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -131.61 39.24 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.11 134.9 36.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -103.48 168.5 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.9 t -107.89 139.37 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -104.64 35.16 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.821 ' HD3' HG13 ' A' ' 67' ' ' VAL . 10.2 tptp -133.66 -48.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -109.46 -7.5 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t 65.62 55.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.24 176.69 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -99.94 129.17 45.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.38 127.46 82.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.743 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.6 62.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -77.74 152.34 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.52 43.15 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 p -123.37 152.3 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.02 112.74 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.882 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.5 ptt180 -133.92 171.34 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.425 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -120.95 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -141.62 150.38 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.664 HG22 HG13 ' A' ' 46' ' ' VAL . 38.4 mt -137.08 135.51 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.3 mmt -93.2 94.75 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 44' ' ' ILE . 27.4 m -115.56 169.04 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.68 150.57 23.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.818 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.2 m -136.16 137.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 111.094 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' CE1' HG21 ' A' ' 46' ' ' VAL . 20.8 m170 -105.9 115.34 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 68.5 m95 -93.74 134.12 36.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CE1' HD12 ' A' ' 44' ' ' ILE . 87.2 m-85 -127.9 155.27 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.4 m80 -68.19 140.45 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 28.4 t80 -33.69 -37.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' HIS . 80.1 p -87.97 -55.83 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 93.3 m -45.05 -52.54 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD2' ' CB ' ' A' ' 42' ' ' MET . 41.0 t80 -43.86 -35.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 41.3 m95 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -53.97 -51.69 63.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.821 HG13 ' HD3' ' A' ' 30' ' ' LYS . 11.6 m -49.66 -43.89 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.69 48.04 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.37 96.18 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 m -81.7 139.38 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.623 HD13 HG21 ' A' ' 78' ' ' VAL . 46.1 mt -133.88 100.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -47.59 -62.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 3.2 m170 -126.41 94.64 40.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.567 0.699 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.9 Cg_endo -69.75 -21.02 34.13 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.61 ' OD2' HG13 ' A' ' 76' ' ' VAL . 7.4 p-10 -57.57 -37.94 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.61 HG13 ' OD2' ' A' ' 75' ' ' ASP . 34.3 m -111.02 -45.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.519 ' N ' HG23 ' A' ' 76' ' ' VAL . 20.9 mt-10 -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.776 HG22 ' HB2' ' A' ' 16' ' ' TYR . 92.0 t -96.31 130.28 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.31 165.36 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.6 -37.46 2.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.526 ' HA ' HD12 ' A' ' 84' ' ' LEU . 14.8 t80 -38.28 -54.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.9 t -55.09 -43.01 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.13 -41.95 97.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 81' ' ' PHE . 52.3 mt -50.44 168.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -85.95 162.94 18.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -45.5 -53.03 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -51.19 -61.63 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -56.76 8.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -38.97 -43.78 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -70.56 -56.16 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -40.5 -51.8 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.86 -35.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -59.83 -66.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -49.38 -52.78 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.3 m -53.71 -57.16 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.94 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -43.06 -45.47 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.807 0.337 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -115.6 163.61 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -159.13 113.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.571 HG12 HG12 ' A' ' 78' ' ' VAL . 14.9 p -110.99 134.08 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.5 170.54 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.3 m-85 -75.48 104.79 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.84 122.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -48.71 68.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 t -137.44 158.8 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.62 43.57 3.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -100.35 -43.88 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.36 138.11 55.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 p -107.11 162.13 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -92.52 170.99 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 55.1 mmtt -120.11 -36.33 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -68.98 -34.47 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -118.59 -27.82 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t 72.8 49.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -118.82 176.71 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.7 p -94.06 103.41 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.8 125.59 47.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.32 47.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -65.21 148.25 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 43.28 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 p -127.74 148.45 50.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 61' ' ' PHE . 14.7 tp -73.46 106.97 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.5 ptt180 -122.89 161.36 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.518 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -115.25 160.04 20.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.51 131.96 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.793 HD12 ' CD2' ' A' ' 59' ' ' TYR . 54.4 mt -119.93 138.16 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.7 mmt -95.86 101.06 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.605 HG21 ' CE1' ' A' ' 57' ' ' HIS . 10.8 m -111.6 165.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -94.31 106.41 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.888 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.519 HG23 ' CD2' ' A' ' 57' ' ' HIS . 21.3 m -122.19 138.7 29.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.605 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 m170 -95.14 114.96 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.492 ' CE3' ' HD2' ' A' ' 41' ' ' ARG . 92.9 m95 -86.79 133.35 33.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 44' ' ' ILE . 70.9 m-85 -133.59 130.47 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -50.18 160.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 27.9 t80 -50.17 -35.79 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.1 p -93.0 -44.7 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 34.6 m -48.55 -51.37 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 20.3 t80 -47.34 -34.07 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 50.8 m95 -87.68 -33.65 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -53.35 -49.39 67.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 ' HD2' ' A' ' 69' ' ' HIS . 18.8 m -51.24 -34.62 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.9 43.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' HD2' HG21 ' A' ' 67' ' ' VAL . 16.9 m-70 -99.49 119.96 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.0 p -99.61 153.37 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.604 HD13 ' CG2' ' A' ' 78' ' ' VAL . 96.6 mt -146.48 130.84 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -79.47 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 73.1 m-70 -128.73 90.92 44.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.7 Cg_endo -69.73 -16.35 37.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.515 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.1 p-10 -56.06 -37.17 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 77' ' ' GLU . 28.9 m -111.17 -39.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 76' ' ' VAL . 36.0 mt-10 -65.38 -56.87 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.604 ' CG2' HD13 ' A' ' 71' ' ' ILE . 91.6 t -82.06 106.18 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.26 160.83 4.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 86.68 -39.33 3.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.655 ' HA ' HD12 ' A' ' 84' ' ' LEU . 17.3 t80 -34.97 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.423 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 2.0 t -57.4 -41.5 80.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.7 mt-10 -61.95 -42.27 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 81' ' ' PHE . 24.5 mt -54.81 150.55 9.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -67.16 159.79 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -44.95 -51.39 9.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.59 -55.65 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.1 m-20 -58.3 -58.66 7.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 82' ' ' SER . 76.9 mt-30 -38.36 -46.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.1 -49.81 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -45.88 -60.21 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' LYS . 87.4 t -49.09 -60.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' VAL . 24.2 mtpp -36.27 -62.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -49.18 -52.14 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.6 m -53.97 -57.16 12.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.98 -46.69 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.76 -45.84 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.865 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.403 ' HB2' HG22 ' A' ' 78' ' ' VAL . 36.0 m-85 -113.87 153.34 29.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -149.84 107.52 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' ARG . 12.6 p -99.55 137.36 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -169.95 158.93 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.6 m-85 -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.33 141.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -87.0 -43.31 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -145.45 146.94 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.8 67.17 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -121.07 -40.42 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB1' ' CD1' ' A' ' 58' ' ' TRP . . . -65.71 122.88 18.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -83.25 171.38 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.37 135.21 42.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.7 mmtt -91.51 28.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.742 ' HD3' HG13 ' A' ' 67' ' ' VAL . 10.1 tptp -133.34 -54.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 28.7 p -109.36 15.31 23.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m 39.98 54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -120.34 174.64 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.7 p -100.28 99.73 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.552 HG21 ' HD3' ' A' ' 41' ' ' ARG . 96.9 mt -45.75 124.61 6.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.19 64.33 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 39.4 tttm -67.93 165.6 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 8.2 p-10 38.97 48.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 p -128.46 154.5 46.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.56 113.09 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.552 ' HD3' HG21 ' A' ' 35' ' ' ILE . 19.2 ptt180 -133.29 173.35 11.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.8 mtp -125.58 160.9 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -129.78 116.72 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 64' ' ' PHE . 86.6 mt -104.91 131.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 68.2 mmm -90.32 115.64 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.1 m -132.4 177.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -103.82 131.05 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.869 -179.806 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 mttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG23 ' CD2' ' A' ' 57' ' ' HIS . 26.8 m -129.37 139.79 36.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.2 m170 -106.74 114.73 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 84.7 m95 -87.7 129.35 35.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 72.9 m-85 -128.36 149.64 50.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.5 m80 -70.85 140.28 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 23.7 t80 -36.22 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -93.09 -54.75 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 66.4 m -44.89 -48.36 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' HD11 ' A' ' 44' ' ' ILE . 11.6 t80 -47.3 -32.87 5.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 59.4 m95 -87.05 -31.35 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -55.34 -51.96 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.742 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.9 m -53.54 -38.09 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 47.92 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.449 ' CE1' HD13 ' A' ' 44' ' ' ILE . 4.4 m-70 -102.25 84.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.401 ' C ' HG13 ' A' ' 71' ' ' ILE . 19.1 p -65.44 156.43 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 74.1 mt -146.42 120.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -62.44 -70.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -122.93 91.16 49.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HG3' ' CB ' ' A' ' 96' ' ' ALA . 53.6 Cg_endo -69.8 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.577 ' OD2' HG13 ' A' ' 76' ' ' VAL . 4.7 p-10 -72.91 -33.74 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' OD2' ' A' ' 75' ' ' ASP . 16.0 m -115.28 -28.31 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.67 -49.88 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 18' ' ' VAL . 90.7 t -84.94 105.71 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -55.41 160.39 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.93 -37.97 2.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 4.5 t80 -35.61 -52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.0 t -56.0 -40.56 73.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' GLY . 90.8 mt-10 -61.93 -42.79 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.08 157.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -74.69 161.9 29.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -41.59 -55.84 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -52.85 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.73 -46.01 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -52.15 -55.06 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.98 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -50.23 -42.78 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.62 -41.02 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.17 -42.39 85.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -72.18 -48.0 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -56.88 -50.1 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.401 ' CB ' ' HG3' ' A' ' 74' ' ' PRO . . . -52.57 -47.56 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -54.88 -47.31 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.431 ' HB2' HG22 ' A' ' 78' ' ' VAL . 64.1 m-85 -109.41 159.36 17.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -159.13 113.7 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 41' ' ' ARG . 11.9 p -109.27 135.41 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.81 153.96 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -62.37 114.82 3.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.28 128.97 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -79.34 -43.45 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -139.82 157.64 45.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.02 44.73 3.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -101.39 -45.58 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.43 145.37 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -112.17 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 39.3 t -106.85 142.7 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 65.0 mmtt -104.25 34.4 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 5.5 tptp -135.0 -54.36 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.52 -17.46 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t 72.29 46.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.07 173.98 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.7 p -90.94 127.04 36.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.49 127.8 89.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 150.22 67.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.301 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -74.48 152.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 t70 55.13 42.94 30.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 p -126.07 144.98 50.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 61' ' ' PHE . 26.0 tp -69.96 117.26 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.8 ptt180 -132.76 164.13 27.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 36.7 mtp -118.27 156.79 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -128.42 129.18 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.599 HD12 ' CE2' ' A' ' 59' ' ' TYR . 51.1 mt -114.51 132.59 63.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.68 98.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 17.0 m -106.43 176.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -111.05 111.15 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.854 -179.807 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 49.8 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.85 139.21 17.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.75 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.6 3.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 10.1 m170 -103.03 112.5 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 81.3 m95 -86.7 132.09 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CE2' HD12 ' A' ' 44' ' ' ILE . 80.0 m-85 -129.69 153.91 47.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -69.57 143.56 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.7 t80 -39.62 -31.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -93.92 -53.9 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 80.7 m -46.1 -48.68 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 21.3 t80 -46.92 -32.49 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.8 m95 -86.58 -32.39 20.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -54.13 -52.21 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -51.77 -41.03 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.52 41.86 0.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -106.76 97.13 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 t -87.85 158.42 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.539 HD13 HG21 ' A' ' 78' ' ' VAL . 26.6 mt -140.74 112.89 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.38 -55.84 29.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 58.8 m-70 -131.37 93.27 29.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.5 Cg_endo -69.8 -10.72 29.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.282 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 3.4 t0 -69.85 -39.03 76.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.11 -37.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.04 -46.65 77.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.539 HG21 HD13 ' A' ' 71' ' ' ILE . 59.1 t -96.0 120.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 35.5 t0 -72.84 131.96 42.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 119.07 -38.38 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.598 ' HA ' HD12 ' A' ' 84' ' ' LEU . 78.8 t80 -35.9 -58.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.5 t -50.32 -44.79 54.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -61.68 -41.7 97.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 81' ' ' PHE . 89.9 mt -50.66 166.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -87.94 162.64 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -45.96 -57.51 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -43.22 -62.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.43 -57.58 10.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -38.62 -44.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -69.99 -45.75 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 16.5 ttmt -54.8 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.24 -42.53 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -49.93 -54.13 21.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -63.86 -58.61 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 m -45.43 -43.73 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.5 67.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.52 -45.56 84.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.917 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.832 0.348 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.545 ' HB2' HG22 ' A' ' 78' ' ' VAL . 24.5 m-85 -104.57 158.31 16.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -146.73 107.4 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 41' ' ' ARG . 5.3 p -103.08 123.62 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.76 169.37 24.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -72.62 137.56 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -56.4 146.44 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -96.78 -42.19 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -144.8 159.38 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 47.77 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' ALA . 77.3 mtp85 -113.5 -54.89 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.406 ' CB ' HH12 ' A' ' 41' ' ' ARG . . . -37.27 124.58 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -97.69 155.63 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.97 136.55 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 14.9 mmtp -96.85 28.72 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.8 -53.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 30.9 p -110.45 16.37 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 p 41.05 54.91 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 19.3 mt-10 -124.41 177.71 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -99.76 126.99 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.0 mt -75.32 126.95 87.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.25 47.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.41 149.0 49.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 57.16 43.86 23.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.429 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 79.1 p -128.14 145.54 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.5 114.16 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.8 ptt180 -132.63 164.26 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.1 mtp -117.52 162.47 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.591 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -135.06 155.84 50.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.744 HG22 HG13 ' A' ' 46' ' ' VAL . 53.5 mt -137.47 112.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 3.1 mmt -69.18 105.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.744 HG13 HG22 ' A' ' 44' ' ' ILE . 27.1 m -129.75 176.28 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -113.86 134.69 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.788 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 m -133.83 134.76 23.65 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.665 0.745 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.32 7.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 46' ' ' VAL . 21.0 m170 -103.49 112.05 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.591 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 74.8 m95 -86.32 145.56 26.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.9 m-85 -145.17 130.94 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' SER . 20.2 m80 -49.37 136.52 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 33.4 t80 -35.97 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' HIS . 23.1 p -93.06 -55.33 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.2 m -46.2 -40.43 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 4.8 t80 -53.64 -34.17 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.9 m95 -88.31 16.46 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -105.02 -47.49 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.26 -27.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.14 41.18 3.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.09 84.99 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.2 t -56.9 148.32 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 70' ' ' SER . 89.4 mt -149.39 118.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -65.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -131.06 98.47 18.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.22 35.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.528 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.5 t70 -56.24 -40.68 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.471 HG13 ' OD2' ' A' ' 75' ' ' ASP . 27.4 m -107.88 -32.27 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.33 -49.34 27.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.593 HG12 HG12 ' A' ' 18' ' ' VAL . 58.9 t -94.68 129.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -75.95 167.1 22.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.796 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.84 -34.99 2.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.528 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 28.5 t80 -38.86 -44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -61.88 -37.56 85.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.7 mt-10 -66.61 -41.42 88.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.2 mt -51.17 147.88 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.79 162.39 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -48.29 -54.47 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.45 -60.17 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.13 -48.58 53.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -47.75 -48.22 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.97 -43.76 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 22.5 ttmt -50.79 -54.77 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.0 -43.15 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -48.02 -55.9 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -59.52 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -40.12 -52.87 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.45 -47.42 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.96 -47.05 88.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.827 0.346 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -107.94 167.02 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 50.9 ttp180 -154.66 110.71 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.475 HG12 HG12 ' A' ' 78' ' ' VAL . 9.7 p -107.9 141.32 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.8 163.29 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.6 m-85 -75.18 106.96 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.5 113.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -40.95 97.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.408 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 20.1 m -147.43 143.89 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.47 70.23 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -119.93 -54.77 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.97 157.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -121.93 145.57 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -80.25 140.09 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 2.4 mmmm -100.91 29.31 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.663 ' HD3' HG13 ' A' ' 67' ' ' VAL . 16.4 tptt -131.9 -53.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.44 -2.9 32.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m 56.0 50.69 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -127.64 171.77 11.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 m -95.59 107.58 19.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.603 HG21 ' HD3' ' A' ' 41' ' ' ARG . 26.8 mt -52.37 121.56 21.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.34 68.17 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 23' ' ' SER . 31.4 ttmt -70.82 148.01 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 63.13 41.81 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.4 tp -78.83 107.87 11.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.603 ' HD3' HG21 ' A' ' 35' ' ' ILE . 32.6 ptt180 -130.84 156.17 45.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.6 mtp -114.68 162.61 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -129.43 148.37 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 59' ' ' TYR . 48.8 mt -130.22 146.27 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 mmt -101.44 113.81 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.731 HG21 ' CE1' ' A' ' 57' ' ' HIS . 14.9 m -131.7 173.29 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -88.42 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.469 ' HB2' HG13 ' A' ' 55' ' ' VAL . 1.2 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.2 mttt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' A' ' 48' ' ' SER . 29.0 m -118.33 140.0 27.55 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.731 ' CE1' HG21 ' A' ' 46' ' ' VAL . 22.9 m170 -100.02 111.99 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 86.5 m95 -86.38 140.11 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.542 ' CD2' HD12 ' A' ' 44' ' ' ILE . 68.0 m-85 -143.81 137.62 28.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -58.46 149.93 23.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.4 t80 -43.17 -34.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -90.43 -51.13 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 69.8 m -47.65 -47.74 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.733 ' CE1' HD11 ' A' ' 71' ' ' ILE . 26.4 t80 -48.8 -31.1 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.3 m95 -88.46 -28.27 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -57.0 -50.81 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.663 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.5 m -55.62 -39.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.07 47.05 0.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -103.56 83.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -64.0 149.69 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 64' ' ' PHE . 32.9 mt -138.17 117.87 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -65.42 -65.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -125.48 90.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HA ' HG23 ' A' ' 78' ' ' VAL . 53.6 Cg_endo -69.77 -18.04 37.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.6 ' OD2' HG13 ' A' ' 76' ' ' VAL . 1.3 p-10 -68.56 -27.09 65.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.6 HG13 ' OD2' ' A' ' 75' ' ' ASP . 13.1 m -116.08 -29.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -83.07 -39.03 21.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.646 HG23 ' HA ' ' A' ' 74' ' ' PRO . 21.5 t -100.62 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 142.69 39.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.17 -38.71 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 16.3 t80 -38.31 -55.34 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 p -56.23 -37.57 69.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' GLY . 25.7 mt-10 -64.21 -39.78 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.0 mt -46.68 169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' TRP . 18.4 mtm105 -86.57 151.38 23.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ARG . 76.9 t90 -34.61 -59.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.29 -65.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.46 -56.31 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -39.23 -45.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.16 -43.16 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.9 ttmt -54.1 -46.65 72.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.403 HG22 ' HE1' ' A' ' 61' ' ' PHE . 85.5 t -65.59 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -58.15 -67.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -52.93 -59.6 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.5 m -44.86 -54.3 6.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.29 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.07 -37.65 69.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -110.98 165.15 12.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -157.92 107.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 41' ' ' ARG . 7.8 p -100.54 136.43 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -170.13 165.2 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.2 m-85 -73.11 108.56 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.44 111.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -48.14 79.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.4 p -142.78 161.24 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.13 43.03 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -115.03 41.17 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.45 123.37 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.5 p -98.63 125.41 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.16 135.28 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 48.8 mmtt -98.72 32.04 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -131.6 -50.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.75 -6.07 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 t 60.47 48.95 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -126.1 172.32 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.2 p -93.77 116.14 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.9 mt -68.14 127.94 93.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.05 47.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 23.4 ttpt -86.79 150.12 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 38.5 t70 64.32 42.04 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 p -128.25 158.65 37.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -81.11 115.4 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 18' ' ' VAL . 30.5 ptt180 -135.94 165.17 26.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.531 ' SD ' HG11 ' A' ' 78' ' ' VAL . 1.7 mmt -116.93 169.69 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -136.64 152.83 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.511 HD12 ' CE2' ' A' ' 59' ' ' TYR . 77.3 mt -135.54 135.53 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mmt -93.33 103.02 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.6 170.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -96.52 126.86 42.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.817 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.7 mttm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.58 138.34 31.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 123.31 9.98 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 9.8 m170 -105.67 113.0 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 81.2 m95 -86.49 131.35 34.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 60.1 m-85 -132.2 133.68 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -49.51 148.23 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 33.7 t80 -42.54 -33.39 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.0 p -93.01 -54.14 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 66' ' ' LYS . 97.3 m -45.72 -51.93 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 27.1 t80 -41.7 -34.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.1 m95 -85.31 -33.7 22.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 63' ' ' CYS . 20.1 mttp -54.19 -51.42 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -45.84 -36.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.91 40.19 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -117.04 86.11 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.322 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -83.87 150.74 25.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.971 ' O ' ' HB1' ' A' ' 96' ' ' ALA . 21.7 mt -134.35 120.89 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.76 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.549 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -125.65 86.64 57.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.5 33.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.565 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.9 p-10 -62.56 -38.8 91.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 77' ' ' GLU . 30.5 m -106.14 -43.53 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 76' ' ' VAL . 22.3 mt-10 -65.2 -52.44 54.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.807 ' CG2' HD13 ' A' ' 71' ' ' ILE . 57.8 t -88.61 116.78 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -68.51 164.83 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -40.47 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 2.5 t80 -39.59 -43.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -58.63 -42.19 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' GLY . 35.9 mt-10 -61.19 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 81' ' ' PHE . 47.5 mt -47.05 148.34 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -63.19 179.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.51 ' CH2' ' HG3' ' A' ' 90' ' ' GLN . 64.5 t90 -64.03 -52.0 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -47.89 -60.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.9 m-20 -50.47 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' ASP . 41.7 mt-30 -35.98 -54.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.51 ' HG3' ' CH2' ' A' ' 86' ' ' TRP . 7.6 mm100 -59.63 -42.11 91.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 18.0 ttmm -58.51 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.95 -43.19 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -48.03 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.54 -52.72 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.3 m -45.63 -50.71 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.971 ' HB1' ' O ' ' A' ' 71' ' ' ILE . . . -50.01 -50.74 46.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.27 75.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.797 0.332 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.531 ' HB2' HG22 ' A' ' 78' ' ' VAL . 48.8 m-85 -103.03 158.62 16.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -150.1 107.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.701 HG12 HG12 ' A' ' 78' ' ' VAL . 9.3 p -107.64 138.26 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -175.25 171.98 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.6 m-85 -74.53 102.59 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.86 127.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -46.18 78.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -148.99 177.28 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.52 44.37 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -110.19 29.45 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.22 139.9 53.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.4 p -108.72 147.92 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -91.48 132.31 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 1.4 mmmp? -98.07 33.27 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HD3' HG13 ' A' ' 67' ' ' VAL . 23.2 tptt -132.58 -51.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.4 p -113.06 11.92 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t 47.0 55.03 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 18.9 mt-10 -129.79 172.9 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.3 m -97.49 131.25 44.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.541 HG21 ' HD3' ' A' ' 41' ' ' ARG . 21.0 mt -77.58 128.3 80.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.94 63.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 21.2 ttpt -73.38 150.45 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.2 m-20 57.03 44.73 22.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.9 p -129.32 147.96 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.2 tp -68.97 106.47 2.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 18' ' ' VAL . 20.9 ptt180 -128.3 171.91 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.4 mtp -127.22 166.14 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -138.64 150.21 46.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.459 HD12 ' CE2' ' A' ' 59' ' ' TYR . 70.6 mt -128.83 138.34 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -100.77 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 HG22 ' A' ' 44' ' ' ILE . 27.7 m -120.61 171.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -93.6 137.86 32.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.75 . . . . 0.0 110.884 -179.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mttp . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 57' ' ' HIS . 29.6 m -135.73 135.63 22.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.26 7.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.379 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 55' ' ' VAL . 20.4 m170 -107.08 109.14 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.663 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 89.5 m95 -86.12 131.44 34.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -131.75 141.44 49.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' PHE . 23.4 m80 -58.71 140.23 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 39.0 t80 -35.56 -35.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.9 m -89.62 -56.56 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' LYS . 66.5 m -43.84 -53.78 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE1' HD11 ' A' ' 71' ' ' ILE . 4.8 t80 -38.46 -37.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.917 ' CH2' HD12 ' A' ' 71' ' ' ILE . 72.2 m95 -83.59 -34.25 25.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 52.6 mmtt -53.77 -48.38 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.579 HG13 ' HD3' ' A' ' 30' ' ' LYS . 17.2 m -54.52 -31.86 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.18 39.62 1.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.425 ' NE2' HD13 ' A' ' 44' ' ' ILE . 10.1 m-70 -99.42 89.45 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -75.71 133.04 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.917 HD12 ' CH2' ' A' ' 65' ' ' TRP . 39.9 mt -117.48 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -52.24 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.09 86.71 53.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.712 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.588 ' HA ' HG23 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.74 -9.5 26.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.523 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 5.4 p-10 -70.27 -38.32 75.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.418 HG13 ' OD2' ' A' ' 75' ' ' ASP . 21.5 m -112.2 -30.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.56 -45.32 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.701 HG12 HG12 ' A' ' 18' ' ' VAL . 39.1 t -93.29 107.08 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' HG12 ' A' ' 18' ' ' VAL . 33.2 t0 -55.9 164.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.97 -36.55 2.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 2.8 t80 -34.29 -58.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.5 p -56.68 -38.44 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.0 mt-10 -65.07 -42.01 94.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -51.23 160.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -80.64 155.52 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -43.36 -52.79 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -48.02 -51.44 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -55.16 29.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -42.34 -50.53 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -61.97 -43.77 98.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.537 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 14.2 ttmm -54.67 -53.2 57.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' A' ' 61' ' ' PHE . 97.2 t -55.85 -57.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -39.89 -60.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -50.67 -39.66 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.533 HG21 ' NE1' ' A' ' 65' ' ' TRP . 32.2 m -69.45 -35.75 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.19 -48.72 64.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 6.9 pt-20 -57.31 -36.66 71.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.557 ' HB2' HG22 ' A' ' 78' ' ' VAL . 63.6 m-85 -115.07 169.04 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 38.5 ttp180 -159.53 111.6 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 79' ' ' ASP . 12.9 p -104.07 141.73 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.09 153.79 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.9 m-85 -71.48 104.18 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.53 141.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -88.69 -38.57 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 25' ' ' ARG . 15.9 m -131.09 171.37 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.35 48.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 3.3 mpt_? -108.03 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -33.62 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -115.75 163.3 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 42.8 t -101.04 136.34 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 20.1 mmtp -99.34 31.92 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 7.4 tptp -132.71 -54.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.9 p -109.32 14.36 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m 43.83 55.01 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.3 mt-10 -125.44 170.43 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 m -94.94 126.14 40.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mt -75.23 127.16 86.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.744 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.43 27.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.88 155.9 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 50.71 40.36 24.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -117.11 143.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.18 112.75 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -134.24 162.51 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.427 ' SD ' HG11 ' A' ' 78' ' ' VAL . 1.4 mmt -114.54 167.84 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.07 148.31 52.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.622 HD13 ' CD2' ' A' ' 69' ' ' HIS . 66.0 mt -131.0 138.7 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.01 94.11 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 44' ' ' ILE . 29.6 m -113.46 165.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -91.78 143.32 26.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.1 mttt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.65 138.52 31.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 123.13 9.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 14.4 m170 -108.4 116.45 31.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.653 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 57.9 m95 -91.45 127.97 37.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 72.2 m-85 -125.92 141.57 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' PHE . 17.3 m80 -55.54 140.29 41.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 32.2 t80 -35.76 -35.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' HIS . 45.3 m -90.83 -57.11 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.8 m -45.15 -49.8 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 67' ' ' VAL . 82.9 t80 -41.45 -36.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 67.9 m95 -84.31 -35.33 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -52.58 -50.18 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 64' ' ' PHE . 20.8 m -52.71 -34.68 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' HIS . . . 128.07 -40.62 1.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.622 ' CD2' HD13 ' A' ' 44' ' ' ILE . 78.3 m-70 -33.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -103.1 160.38 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.729 HD13 ' CG2' ' A' ' 78' ' ' VAL . 81.0 mt -140.86 125.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -80.26 -54.91 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -126.66 85.99 59.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.23 34.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.576 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 14.0 t0 -50.89 -43.47 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 77' ' ' GLU . 35.0 m -104.38 -41.27 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' N ' HG23 ' A' ' 76' ' ' VAL . 46.6 mt-10 -63.04 -59.0 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.729 ' CG2' HD13 ' A' ' 71' ' ' ILE . 61.2 t -79.16 130.26 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.797 ' O ' HG12 ' A' ' 18' ' ' VAL . 25.3 t0 -79.21 166.71 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.67 -35.79 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 54.6 t80 -35.33 -48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.6 p -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -66.2 -40.01 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.5 mt -53.5 167.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -86.65 151.91 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -41.05 -53.4 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -46.67 -60.35 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -47.77 76.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -46.29 -44.97 17.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.32 -45.46 76.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -53.68 -57.33 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -53.5 -47.24 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -56.2 -48.55 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.27 -56.67 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -51.42 -57.12 9.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.79 -46.89 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -44.94 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.044 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -109.92 155.54 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -149.0 108.07 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -107.5 134.99 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -164.54 173.88 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -82.03 111.76 18.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . . . -42.61 131.37 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -82.31 -40.08 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -143.92 161.51 38.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.48 47.16 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -100.43 -45.42 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 154.28 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.3 p -125.16 173.29 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.16 140.7 46.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 32.8 mmtm -106.0 33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HD3' HG13 ' A' ' 67' ' ' VAL . 15.8 tptt -133.99 -45.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.53 -13.93 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t 68.71 49.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -125.5 175.25 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -100.23 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.444 HD13 ' HD2' ' A' ' 41' ' ' ARG . 93.5 mt -65.67 124.68 88.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 147.42 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.295 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -67.68 154.29 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 57.45 42.55 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.3 p -126.63 156.13 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 tp -85.4 106.29 16.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.589 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 25.9 ptt180 -122.73 159.05 28.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.27 162.99 14.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.5 152.16 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 46' ' ' VAL . 68.5 mt -138.54 128.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 mmt -83.9 93.34 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.659 HG21 ' CE1' ' A' ' 57' ' ' HIS . 17.2 m -114.09 167.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 110.854 -179.816 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.3 m -135.79 140.25 33.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.659 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.2 m170 -94.67 114.03 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 80.8 m95 -86.59 142.15 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -140.79 141.63 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -60.13 147.55 39.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 44.9 t80 -42.57 -35.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -90.31 -53.65 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 91.3 m -47.72 -53.99 13.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' A' ' 44' ' ' ILE . 84.0 t80 -40.29 -33.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.567 ' CD1' HG21 ' A' ' 95' ' ' THR . 49.1 m95 -87.71 -31.79 19.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' CYS . 42.9 mmtt -51.69 -52.14 50.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.565 HG13 ' HD3' ' A' ' 30' ' ' LYS . 6.4 m -53.28 -45.63 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 120.55 47.22 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.406 ' CD2' HD13 ' A' ' 44' ' ' ILE . 34.0 m-70 -107.77 49.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.1 m -49.18 163.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.61 HD13 ' CG2' ' A' ' 78' ' ' VAL . 65.0 mt -147.58 131.59 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' A' ' 70' ' ' SER . 0.0 OUTLIER -77.08 -59.09 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.547 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -125.51 85.39 58.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.585 0.707 . . . . 0.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.556 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 18.8 t0 -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 77' ' ' GLU . 27.2 m -113.43 -43.7 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 76' ' ' VAL . 25.8 mt-10 -63.4 -47.62 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.61 ' CG2' HD13 ' A' ' 71' ' ' ILE . 53.0 t -92.02 136.09 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -84.94 166.84 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.12 -37.3 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 51.8 t80 -34.83 -53.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -44.4 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' GLY . 11.5 mm-40 -62.18 -37.62 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.6 mt -56.71 159.63 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -75.86 161.29 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -48.68 -52.93 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -47.87 -63.13 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.6 m-20 -51.72 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ASP . 75.0 mt-30 -35.35 -48.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.58 -53.29 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 61' ' ' PHE . 7.6 ttmm -47.25 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 90.1 t -35.58 -54.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -52.3 -53.24 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -43.07 -53.93 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 65' ' ' TRP . 30.1 m -63.56 -47.43 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.84 -48.72 59.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.841 0.353 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.2 167.08 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -157.69 108.17 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.761 HG12 HG12 ' A' ' 78' ' ' VAL . 13.6 p -101.66 140.76 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.45 171.11 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -79.87 112.22 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.06 125.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -70.38 -50.76 35.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 m -137.64 171.56 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.85 69.66 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -125.9 -45.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.631 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . . . -55.63 143.85 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 35' ' ' ILE . 4.4 m -111.58 178.9 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.1 t -117.35 130.05 56.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 41.0 mmtt -95.28 37.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.485 ' HD3' ' CG1' ' A' ' 67' ' ' VAL . 12.4 tptt -134.99 -49.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -106.27 -18.16 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t 73.62 48.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.25 175.59 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.6 p -96.98 109.21 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 27' ' ' SER . 76.0 mt -54.85 120.91 31.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.16 68.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -76.74 151.07 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.43 39.25 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -124.97 160.93 27.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.82 104.2 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.631 ' NH1' ' HB3' ' A' ' 26' ' ' ALA . 22.8 ptt180 -122.64 160.19 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.643 ' CE ' ' CE2' ' A' ' 64' ' ' PHE . 1.2 mmt -113.05 169.91 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.56 148.85 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.644 HG22 HG13 ' A' ' 46' ' ' VAL . 83.8 mt -134.7 127.5 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 2.7 mmt -88.8 101.94 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.685 HG21 ' CE1' ' A' ' 57' ' ' HIS . 31.2 m -122.61 169.68 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 10.4 tm0? -98.18 108.01 20.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.44 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 5.9 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.829 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 mttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.524 HG23 ' CD2' ' A' ' 57' ' ' HIS . 33.2 m -127.63 135.18 27.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 117.73 5.26 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.685 ' CE1' HG21 ' A' ' 46' ' ' VAL . 24.4 m170 -99.33 114.05 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.496 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 94.7 m95 -86.34 123.7 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CE2' HD12 ' A' ' 44' ' ' ILE . 58.5 m-85 -125.81 132.98 52.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -50.04 166.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.3 t80 -56.55 -40.93 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 m -86.84 -45.97 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.7 m -55.64 -45.16 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.643 ' CE2' ' CE ' ' A' ' 42' ' ' MET . 74.6 t80 -47.32 -31.76 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.4 m95 -91.61 -31.87 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -58.4 -52.05 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.485 ' CG1' ' HD3' ' A' ' 30' ' ' LYS . 24.2 m -40.56 -32.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.15 44.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -116.29 113.68 23.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -96.12 160.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.512 HG23 ' OE1' ' A' ' 77' ' ' GLU . 86.1 mt -147.12 127.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.542 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 17.6 mmt180 -78.86 -57.37 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 72' ' ' ARG . 9.4 m-70 -125.07 89.62 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.95 27.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 39.5 t0 -64.91 -38.56 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -107.74 -38.08 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.512 ' OE1' HG23 ' A' ' 71' ' ' ILE . 17.5 mt-10 -64.43 -52.67 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.761 HG12 HG12 ' A' ' 18' ' ' VAL . 67.9 t -85.29 117.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' VAL . 43.8 t0 -75.97 134.88 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.38 -36.36 4.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 49.9 t80 -38.99 -47.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 -38.57 75.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -64.61 -42.07 95.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -45.38 155.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -63.24 167.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -60.43 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.7 -62.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.18 -54.28 8.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -40.68 -47.85 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 15.3 mt-30 -58.62 -40.19 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 17.3 ttmm -54.44 -51.61 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.53 -39.99 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 90' ' ' GLN . 19.6 mmmt -45.36 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 91' ' ' LYS . 10.6 pttt -64.39 -55.61 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.4 m -40.83 -42.58 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.16 85.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.89 -44.14 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -120.3 176.25 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 58.5 ttp180 -159.0 107.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.633 HG12 HG12 ' A' ' 78' ' ' VAL . 11.4 p -106.75 130.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.22 167.2 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 21' ' ' ALA . 41.9 m-85 -73.12 109.36 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -33.26 143.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -90.64 -44.06 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -149.45 170.89 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.56 40.65 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 5.0 ptp180 -99.16 -33.29 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -60.83 145.37 50.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 p -115.89 154.24 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -101.08 127.62 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 31.7 mmtm -90.21 17.44 7.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD3' HG13 ' A' ' 67' ' ' VAL . 13.5 tptp -114.84 -53.36 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.54 1.84 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t 52.57 49.49 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -123.45 171.72 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 m -97.19 102.21 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -48.26 128.32 12.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.33 66.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.31 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -71.28 145.32 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.33 50.79 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.51 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 48.7 p -135.86 144.74 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.61 116.08 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.0 ptt180 -135.52 167.31 21.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.418 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 34.1 mtp -119.67 167.99 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.67 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.24 148.29 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.698 HG22 HG13 ' A' ' 46' ' ' VAL . 77.4 mt -131.89 123.97 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.09 93.94 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 44' ' ' ILE . 27.5 m -115.98 177.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -96.29 135.88 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.455 ' HB2' HG13 ' A' ' 55' ' ' VAL . 8.6 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 110.878 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' ' 48' ' ' SER . 27.0 m -138.57 135.52 18.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.72 2.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.619 ' CE1' HG21 ' A' ' 46' ' ' VAL . 20.2 m170 -90.26 112.69 24.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.67 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 87.9 m95 -86.3 128.21 34.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 57' ' ' HIS . 67.8 m-85 -131.29 135.38 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -52.94 149.8 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.592 ' HE1' HG22 ' A' ' 92' ' ' VAL . 22.9 t80 -43.43 -35.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -91.34 -55.91 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 64.2 m -40.18 -43.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.603 ' CZ ' HD11 ' A' ' 71' ' ' ILE . 18.3 t80 -52.58 -40.79 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.5 m95 -85.07 15.49 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -106.4 -43.06 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.528 HG13 ' HD3' ' A' ' 30' ' ' LYS . 15.4 m -59.67 -30.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.15 42.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.413 ' CD2' HD13 ' A' ' 44' ' ' ILE . 9.1 m-70 -103.55 96.15 6.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.0 p -74.3 152.18 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 84.7 mt -146.22 121.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.17 -69.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -118.74 93.5 46.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -12.45 32.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 7.1 p-10 -65.27 -41.06 94.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.48 -38.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.05 -55.61 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.633 HG12 HG12 ' A' ' 18' ' ' VAL . 67.1 t -83.89 104.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.99 142.1 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 99.6 -41.47 2.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.612 ' HA ' HD12 ' A' ' 84' ' ' LEU . 12.9 t80 -38.15 -46.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -53.1 -42.47 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -61.19 -42.22 98.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 81' ' ' PHE . 60.3 mt -46.74 142.59 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -60.89 163.9 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -49.79 -49.74 47.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -52.2 -60.96 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' GLN . 5.2 m-20 -52.76 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' ASP . 89.0 mt-30 -35.88 -45.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -67.42 -51.95 45.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.1 ttmt -44.29 -52.02 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 ' HE1' ' A' ' 61' ' ' PHE . 97.1 t -61.29 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -47.25 -53.86 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -51.7 -55.15 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.8 m -55.41 -53.76 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.04 -50.01 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -53.43 -46.36 69.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.841 0.353 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.52 ' HB2' HG22 ' A' ' 78' ' ' VAL . 47.5 m-85 -102.47 154.53 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -153.51 112.54 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 41' ' ' ARG . 3.6 p -112.16 133.75 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -163.87 168.88 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.0 m-85 -76.33 109.44 10.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -36.56 140.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -88.23 -46.43 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -141.5 144.73 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 72.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -125.42 -47.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.27 164.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -138.47 169.83 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 14.3 t -110.85 159.45 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 mmtp -110.63 -37.08 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD2' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -51.78 -37.75 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.02 -19.69 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 69.77 47.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.87 -176.14 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -98.55 134.57 41.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.26 129.26 56.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -82.49 149.59 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 57.04 44.5 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -127.21 155.98 42.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.91 116.65 17.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.785 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.0 ptt180 -133.9 169.25 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 45.1 mtp -126.07 162.53 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.57 148.83 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.661 HG22 HG13 ' A' ' 46' ' ' VAL . 87.2 mt -136.21 128.0 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 mmt -87.97 98.28 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.661 HG13 HG22 ' A' ' 44' ' ' ILE . 31.6 m -116.75 174.36 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.53 157.78 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.802 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mttt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.656 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 m -138.97 137.13 19.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.656 ' CD2' HG23 ' A' ' 55' ' ' VAL . 23.6 m170 -95.81 117.52 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -90.5 130.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CD2' HD12 ' A' ' 44' ' ' ILE . 79.4 m-85 -129.57 137.11 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' PHE . 45.7 m80 -58.57 139.52 55.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 35.3 t80 -32.4 -40.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -84.85 -52.15 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.4 m -44.0 -42.14 5.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' HD11 ' A' ' 71' ' ' ILE . 7.5 t80 -54.93 -36.17 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.6 m95 -88.84 10.32 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' SER . 46.8 mmtt -100.05 -44.97 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 30' ' ' LYS . 6.9 m -55.02 -45.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 116.18 43.79 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.636 ' NE2' HD13 ' A' ' 44' ' ' ILE . 14.8 m-70 -85.1 151.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.7 m -117.2 119.8 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.556 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 76.6 mt -127.35 110.06 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -71.2 -73.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.96 94.26 28.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.818 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.75 14.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.571 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 t0 -75.8 -36.57 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.39 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -69.68 -46.91 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 16' ' ' TYR . 93.6 t -95.47 132.76 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.14 160.43 24.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 79.15 -41.87 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 30.4 t80 -34.36 -55.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -41.62 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.2 mt-10 -61.71 -41.41 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 81' ' ' PHE . 89.1 mt -46.74 163.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 85' ' ' ARG . 2.0 mpt_? -78.34 157.05 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.515 ' CE3' ' N ' ' A' ' 87' ' ' ASP . 20.6 t90 -39.13 -58.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.515 ' N ' ' CE3' ' A' ' 86' ' ' TRP . 36.0 t70 -41.9 -62.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -54.49 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -44.86 -46.08 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -72.85 -42.71 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -62.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -42.73 -48.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -49.32 -66.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -39.56 -63.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.5 HG21 ' NE1' ' A' ' 65' ' ' TRP . 65.3 m -49.89 -53.15 27.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.22 -54.01 24.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.62 -50.44 60.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.936 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.848 0.356 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -123.23 163.44 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -152.59 108.94 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 78' ' ' VAL . 14.9 p -101.82 120.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -149.46 173.09 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.59 111.38 19.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.03 114.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -45.12 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -138.63 161.17 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.66 44.12 3.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -111.7 38.87 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.1 161.27 24.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -128.25 129.46 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 50.4 t -77.45 132.84 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -95.66 35.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 14.3 tptt -135.05 -52.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -100.82 -13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t 67.91 46.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -126.07 173.84 8.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 p -93.14 104.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.3 mt -52.48 130.24 44.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.46 67.66 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 36.1 ttpt -77.88 160.58 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 6.7 p-10 46.15 42.35 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.6 p -123.61 152.28 42.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.05 109.97 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.548 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 21.3 ptt180 -128.89 164.09 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.533 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -113.61 168.63 9.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.63 149.75 46.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.848 HD12 ' CE2' ' A' ' 59' ' ' TYR . 41.9 mt -138.82 122.06 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.41 101.5 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 44' ' ' ILE . 24.8 m -119.95 170.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -98.48 118.1 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.848 -179.79 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.2 mttt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 57' ' ' HIS . 28.7 m -136.57 137.78 24.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 113.45 3.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.288 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 17.6 m170 -95.63 111.71 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 93.1 m95 -86.46 133.72 33.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.848 ' CE2' HD12 ' A' ' 44' ' ' ILE . 97.3 m-85 -131.66 150.39 52.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 22.3 m80 -68.45 158.45 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.7 t80 -46.25 -39.9 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 81.8 p -89.7 -50.3 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 60' ' ' HIS . 69.7 m -46.0 -50.07 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 55.3 t80 -48.58 -34.12 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.2 m95 -85.43 -32.47 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -54.42 -52.19 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.501 HG21 ' HD2' ' A' ' 69' ' ' HIS . 25.1 m -48.4 -42.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 115.8 45.73 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.501 ' HD2' HG21 ' A' ' 67' ' ' VAL . 23.2 m-70 -106.63 94.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.6 m -82.24 151.77 26.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.712 HG23 ' OE1' ' A' ' 77' ' ' GLU . 90.5 mt -145.64 118.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -70.47 -58.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -117.67 86.86 24.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.25 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.567 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 7.3 p-10 -73.96 -42.65 60.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.36 -32.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 71' ' ' ILE . 39.4 mt-10 -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 18' ' ' VAL . 82.4 t -81.37 114.03 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -68.62 111.25 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 135.43 -37.74 1.88 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 59.5 t80 -34.79 -49.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -63.34 -40.81 98.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' GLY . 39.9 mt-10 -66.0 -40.78 91.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.5 mt -52.04 164.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -73.88 165.48 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -58.81 -49.74 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -58.52 -61.78 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -46.12 -51.61 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.4 -43.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -64.22 -42.07 96.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -53.8 -43.78 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.01 -40.7 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -45.1 -57.48 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -59.4 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.5 m -39.21 -46.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.23 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.51 -33.54 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.795 0.331 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -109.19 156.83 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -148.08 109.85 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.57 HG11 HD11 ' A' ' 84' ' ' LEU . 7.7 p -102.98 132.33 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.85 149.94 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.8 m-85 -62.46 106.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -34.58 139.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.073 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -95.71 -41.83 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 p -134.02 141.34 47.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 45.19 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 25.7 ptt180 -102.86 -38.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -58.99 130.93 49.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 m -99.05 179.37 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.07 136.68 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.5 mmtt -98.38 31.08 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HD3' HG13 ' A' ' 67' ' ' VAL . 8.9 tptp -130.48 -54.9 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.3 p -100.12 -17.59 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 71.19 54.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.58 173.61 11.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -95.65 115.4 27.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -67.47 130.6 93.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 158.79 55.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -78.0 156.71 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 52.02 41.75 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.448 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 30.0 p -119.61 157.15 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.18 106.42 14.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 37.6 ptt180 -130.81 166.89 19.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtp -121.29 160.86 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.56 151.34 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.517 HG22 HG13 ' A' ' 46' ' ' VAL . 59.1 mt -134.03 130.16 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mmt -86.94 103.54 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 57' ' ' HIS . 21.9 m -121.62 174.55 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -108.94 124.5 50.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 110.868 -179.788 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.1 mttm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.3 m -133.28 136.6 27.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 112.92 3.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CD2' HG23 ' A' ' 55' ' ' VAL . 14.5 m170 -95.36 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 96.0 m95 -87.3 137.3 32.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.0 m-85 -140.45 136.4 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.22 144.06 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.3 t80 -39.07 -37.9 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 t -87.11 -52.82 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 62.6 m -45.89 -52.95 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 17.1 t80 -41.8 -37.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 72.1 m95 -80.66 -35.06 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -52.82 -50.64 63.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 64' ' ' PHE . 16.3 m -54.35 -32.4 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.95 41.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 8.6 m-70 -101.55 87.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 p -75.4 148.49 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.514 HD12 ' CH2' ' A' ' 65' ' ' TRP . 50.6 mt -134.05 103.47 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 72' ' ' ARG . 4.0 mmt180 -51.43 -60.17 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 93.5 m-70 -129.26 95.03 31.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.1 Cg_endo -69.77 -4.8 14.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.5 t70 -78.25 -37.53 44.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -109.41 -28.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -72.41 -57.17 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.7 t -74.67 137.04 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -88.54 114.92 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.15 35.28 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 87.9 t80 -85.12 -55.72 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -50.24 -34.65 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.57 HD11 HG11 ' A' ' 18' ' ' VAL . 82.9 mt -47.9 142.22 5.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.56 155.31 33.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -40.98 -55.97 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -49.19 -45.65 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.99 -51.46 58.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.55 -45.25 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.44 -43.16 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -57.19 -55.85 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.0 t -51.91 -51.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.41 -62.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' GLU . 22.0 mtpt -48.38 -44.24 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 32.8 m -66.42 -35.33 80.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -50.51 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 9.8 pt-20 -56.91 -38.74 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.512 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.808 0.337 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -102.62 166.94 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 61.0 ttm-85 -154.89 149.72 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 78' ' ' VAL . 13.0 p -148.24 126.19 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -160.66 163.88 32.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.8 m-85 -74.47 106.41 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.08 137.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -80.53 -41.48 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -151.6 172.88 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.07 70.57 1.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.12 -55.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 58' ' ' TRP . . . -54.63 156.03 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 m -121.84 173.27 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 21.2 mmtp -90.99 15.01 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HD3' HG13 ' A' ' 67' ' ' VAL . 6.7 tptm -113.87 -60.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -103.5 19.63 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' CYS . 3.7 t 38.11 54.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.1 mt-10 -123.01 -176.34 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -103.72 131.68 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -81.28 120.94 79.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.02 67.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 48.9 tttt -76.17 148.45 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.7 t70 64.35 43.16 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.8 p -130.13 150.84 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.97 112.05 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.2 ptt180 -131.46 170.22 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -124.05 173.94 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -146.34 146.28 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.732 HD11 ' CE2' ' A' ' 64' ' ' PHE . 3.8 mp -132.33 129.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -80.9 111.51 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.3 m -133.89 172.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.25 140.47 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.81 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -129.96 139.51 35.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.7 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CE1' HG21 ' A' ' 46' ' ' VAL . 6.7 m170 -96.16 111.63 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 89.3 m95 -86.13 143.59 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 64.7 m-85 -146.12 140.76 26.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -58.61 146.44 36.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 31.3 t80 -39.52 -34.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.4 p -91.36 -56.43 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 87.1 m -44.29 -41.41 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 44' ' ' ILE . 50.3 t80 -55.0 -35.61 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 57.2 m95 -84.28 -33.26 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -55.25 -51.92 65.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.471 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.7 m -50.97 -45.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 125.12 36.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 21.9 m-70 -91.29 45.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.325 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.449 ' C ' HG13 ' A' ' 71' ' ' ILE . 24.5 m -49.08 150.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.485 HD13 ' CG2' ' A' ' 78' ' ' VAL . 61.5 mt -147.44 131.61 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -121.23 85.3 41.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.43 34.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.573 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.3 t70 -62.39 -33.56 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.45 -39.11 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -66.55 -46.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 18' ' ' VAL . 55.1 t -93.77 125.12 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.24 153.37 34.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 92.76 -37.7 3.33 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 84.4 t80 -34.34 -55.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.365 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -51.88 -41.32 61.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' GLY . 37.2 mt-10 -61.32 -42.62 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -45.05 170.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.41 165.25 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -51.45 -50.24 60.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.64 -63.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.8 m-20 -50.52 -56.42 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -40.56 -46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -63.88 -38.63 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 19.9 ttmt -58.14 -53.1 62.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.95 -38.88 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.96 -67.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.56 -54.93 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.3 m -39.39 -45.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.43 64.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.26 -45.74 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.833 0.349 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.683 ' HB2' HG22 ' A' ' 78' ' ' VAL . 41.0 m-85 -122.61 170.51 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 47.1 ttt180 -157.83 108.17 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.623 HG12 HG12 ' A' ' 78' ' ' VAL . 13.4 p -103.29 128.54 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -158.71 169.59 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ALA . 28.5 m-85 -78.98 115.12 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -34.22 117.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.02 -45.39 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -141.13 172.2 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.46 43.15 2.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -103.92 -60.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.1 126.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.7 p -95.52 165.04 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 44.3 t -100.05 135.21 41.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 24.6 mmmt -99.04 32.74 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD3' HG13 ' A' ' 67' ' ' VAL . 20.8 tptt -132.66 -51.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 32.1 p -114.78 15.09 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 t 42.58 55.0 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.9 mt-10 -123.53 172.02 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.9 p -98.94 106.3 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -51.52 119.72 13.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.07 62.29 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -70.93 150.14 46.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 62.59 43.23 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 p -132.54 142.26 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.14 116.3 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -132.9 173.33 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 mmt -126.25 168.59 13.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.658 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -139.53 113.14 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.639 HD12 ' CD2' ' A' ' 59' ' ' TYR . 41.3 mt -97.59 130.5 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.7 mmm -92.11 100.43 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 44' ' ' ILE . 27.7 m -121.01 168.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -97.21 124.51 41.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.903 -179.818 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.1 137.65 26.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.726 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' A' ' 46' ' ' VAL . 21.4 m170 -105.64 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.658 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 88.6 m95 -86.62 128.32 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.639 ' CD2' HD12 ' A' ' 44' ' ' ILE . 52.8 m-85 -130.41 144.19 51.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -61.64 145.02 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 45.8 t80 -37.91 -33.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 98.7 p -93.14 -51.83 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 63.5 m -46.98 -45.62 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.627 ' HZ ' HD11 ' A' ' 71' ' ' ILE . 56.4 t80 -51.97 -33.59 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.9 m95 -83.71 -34.82 24.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -54.37 -51.4 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG13 ' HD3' ' A' ' 30' ' ' LYS . 3.5 m -52.9 -25.96 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.22 47.03 2.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.52 50.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -46.57 163.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.627 HD11 ' HZ ' ' A' ' 64' ' ' PHE . 96.3 mt -145.68 125.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -64.11 -62.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 81.2 m-70 -130.01 91.4 39.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.9 Cg_endo -69.73 -15.64 37.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.537 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 42.8 t0 -58.76 -44.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.74 -29.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.98 -47.15 39.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 16' ' ' TYR . 87.0 t -92.94 126.4 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.81 130.07 35.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 117.03 -37.19 3.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 78.7 t80 -37.76 -61.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.4 t -46.92 -42.3 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.813 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.0 -41.7 99.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 81' ' ' PHE . 96.0 mt -49.48 153.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -64.91 173.35 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -61.77 -58.88 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -47.64 -53.44 14.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.76 -49.99 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -43.94 -44.8 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.72 -38.78 80.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -58.48 -57.72 11.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.37 -41.21 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -52.7 -70.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -50.83 -55.91 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -44.03 -47.1 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.09 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -52.59 -45.15 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.813 0.34 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.93 154.44 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 21.8 ttm180 -155.09 107.3 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.417 HG12 HG12 ' A' ' 78' ' ' VAL . 4.6 p -100.21 127.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -148.43 177.19 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.477 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 42.6 m-85 -92.57 104.06 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.17 130.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -81.57 -38.93 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 p -136.07 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.47 45.84 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 26' ' ' ALA . 67.5 mtp180 -101.22 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.809 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.451 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -34.53 136.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -106.62 168.11 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -99.64 137.54 37.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 20.0 mmmt -100.38 32.29 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HD3' HG13 ' A' ' 67' ' ' VAL . 25.4 tptt -133.67 -52.02 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -108.66 4.78 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m 52.71 54.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.8 mt-10 -128.7 174.71 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -97.81 130.55 44.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.47 130.06 75.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.74 65.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -76.71 155.07 33.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 50.95 51.71 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -132.55 164.88 25.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.27 112.57 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' NH1' ' CB ' ' A' ' 26' ' ' ALA . 26.1 ptt180 -129.31 168.1 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 22.5 mtp -118.45 168.52 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -138.46 114.83 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.63 HD12 ' CE2' ' A' ' 59' ' ' TYR . 70.5 mt -103.12 130.48 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.9 mmm -92.97 102.3 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 57' ' ' HIS . 18.6 m -116.67 172.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -100.78 134.88 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.835 -179.813 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.4 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.509 HG23 ' CD2' ' A' ' 57' ' ' HIS . 17.1 m -147.75 139.28 13.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.8 m170 -104.54 114.19 28.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -86.86 136.28 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.63 ' CE2' HD12 ' A' ' 44' ' ' ILE . 73.2 m-85 -132.62 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' SER . 19.5 m80 -73.65 133.88 43.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.6 t80 -34.0 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 60' ' ' HIS . 26.6 t -90.74 -54.79 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 58.7 m -45.28 -43.79 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 12.0 t80 -53.35 -33.6 54.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 54.3 m95 -87.84 16.66 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -108.25 -45.3 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.676 HG13 ' HD3' ' A' ' 30' ' ' LYS . 5.9 m -58.15 -35.2 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.34 43.82 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -97.96 85.64 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 m -69.43 151.12 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.62 HD13 HG21 ' A' ' 78' ' ' VAL . 71.6 mt -144.89 116.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 72' ' ' ARG . 26.7 mtt180 -70.32 -56.35 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -127.18 92.29 44.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.21 2.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.572 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -84.05 -41.56 17.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 m -108.9 -30.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -76.74 -42.79 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 71' ' ' ILE . 99.6 t -98.65 100.1 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.46 166.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 79.2 -42.42 2.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.689 ' HA ' HD12 ' A' ' 84' ' ' LEU . 71.3 t80 -37.06 -54.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -51.52 -42.54 61.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 80' ' ' GLY . 22.8 mt-10 -61.35 -41.68 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 81' ' ' PHE . 46.6 mt -51.46 156.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -74.43 155.75 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -42.3 -51.45 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.66 -53.47 24.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.4 -49.91 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.554 ' HA ' ' CE1' ' A' ' 81' ' ' PHE . 61.1 mt-30 -43.39 -46.48 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.5 -46.4 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -51.44 -47.49 63.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -42.5 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -56.6 -57.84 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -50.47 -62.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.8 m -51.82 -50.78 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.17 -55.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.98 -45.68 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 m -58.07 147.04 30.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.84 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -77.62 -50.93 11.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.32 158.44 34.25 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.454 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m -140.39 109.33 6.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.922 0.391 . . . . 0.0 110.883 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 p -75.89 173.2 11.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.56 47.25 0.59 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.7 ttt -116.95 123.41 46.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -113.43 128.54 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -129.12 127.81 42.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 77.5 p -82.04 -40.85 21.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 71.2 m -115.55 110.67 19.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -81.89 45.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' A' ' 76' ' ' VAL . 26.7 mttp -45.12 139.78 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.6 mp -71.55 -42.88 67.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -101.77 155.88 17.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -154.07 108.61 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -101.53 131.14 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -162.93 148.39 11.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.411 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.7 m-85 -59.5 113.51 2.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . . . -35.91 143.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.126 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -95.11 -42.65 8.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.8 t -138.92 171.33 14.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.29 46.83 1.81 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -111.87 -42.78 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 110.834 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.49 129.89 10.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.6 p -98.84 163.92 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.8 t -113.31 139.22 49.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 16.5 mmmt -102.35 32.52 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HD2' HG13 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -132.2 -43.02 0.96 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.897 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.2 p -116.38 -4.69 11.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.6 m 56.88 52.45 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -128.82 173.99 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.0 p -98.98 104.49 16.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.9 mt -49.55 127.07 17.9 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 111.17 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 157.04 61.68 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.4 tttp -77.69 141.73 39.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.5 t0 67.52 39.55 2.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.853 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.427 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 90.8 p -122.59 146.66 47.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.813 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.1 tp -72.58 110.74 7.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.52 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 31.7 ptt180 -130.43 157.34 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.509 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 39.3 mtp -113.74 168.13 10.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.541 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.8 148.48 52.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.669 HD12 ' CD2' ' A' ' 59' ' ' TYR . 48.9 mt -136.9 133.14 47.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.2 mmt -91.79 109.44 20.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 57' ' ' HIS . 12.4 m -125.3 158.15 33.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -92.68 112.99 25.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.9 m -82.48 136.49 45.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.634 0.73 . . . . 0.0 110.888 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -34.3 14.65 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.0 mmt -84.43 -42.25 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -76.77 -3.05 36.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.7 t0 40.41 35.35 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -163.09 -164.37 17.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.3 mttm -100.9 135.0 43.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.834 0.35 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 26.7 m -132.45 139.55 35.14 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.601 0.715 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 114.03 3.56 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.7 m170 -100.61 113.39 26.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.833 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 81.5 m95 -86.57 132.2 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' HD12 ' A' ' 44' ' ' ILE . 62.0 m-85 -132.72 131.52 41.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -49.56 157.63 0.52 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 29.0 t80 -46.0 -36.72 5.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 68.2 p -91.47 -51.99 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.817 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.472 ' CB ' ' HG2' ' A' ' 30' ' ' LYS . 64.5 m -42.67 -47.31 5.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.509 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 25.4 t80 -51.56 -35.57 41.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.485 ' CH2' HD12 ' A' ' 71' ' ' ILE . 56.0 m95 -84.66 -33.43 23.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' CB ' ' HD3' ' A' ' 30' ' ' LYS . 29.8 mttt -53.76 -52.3 60.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.508 HG13 ' HD2' ' A' ' 30' ' ' LYS . 25.3 m -51.08 -35.55 15.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.169 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 42.89 1.15 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.469 ' HD2' HG21 ' A' ' 67' ' ' VAL . 18.1 m-70 -104.17 83.45 2.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 150.03 42.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD12 ' CH2' ' A' ' 65' ' ' TRP . 28.5 mt -139.16 122.35 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -74.46 -64.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -116.02 83.3 12.06 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.569 0.7 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -4.9 15.01 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.639 2.226 . . . . 0.0 112.36 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.1 t70 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.493 ' O ' ' CE ' ' A' ' 14' ' ' LYS . 27.0 m -114.61 -39.43 2.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.09 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.31 -44.25 92.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.404 HG21 HD13 ' A' ' 71' ' ' ILE . 63.3 t -97.12 122.17 48.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' CA ' ' HD2' ' A' ' 14' ' ' LYS . 21.9 t70 -68.41 164.91 19.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -39.04 2.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.484 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 27.0 t80 -34.81 -58.56 0.51 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.877 0.37 . . . . 0.0 110.901 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -55.65 -38.93 70.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -64.58 -42.03 95.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 86.1 mt -53.39 159.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -74.77 168.26 20.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 90.4 t90 -52.47 -54.74 28.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -46.5 -62.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -49.42 -54.39 17.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -44.08 -51.12 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -63.4 -43.36 97.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.475 ' HE2' ' CE2' ' A' ' 61' ' ' PHE . 32.8 tttt -55.65 -58.42 7.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.916 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.4 -39.91 17.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 mttp -60.5 -53.43 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 35.6 mtmt -52.33 -42.26 63.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.464 HG21 ' NE1' ' A' ' 65' ' ' TRP . 20.9 m -69.09 -58.44 4.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' A' ' 71' ' ' ILE . . . -41.29 -47.39 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.071 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -58.57 -47.08 85.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.6 -43.1 89.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 73.9 47.54 19.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.46 148.95 4.91 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.506 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.5 m -67.51 -54.24 21.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.934 0.397 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 140.14 91.65 0.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 105' ' ' SER . 54.1 Cg_endo -69.7 4.29 2.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.631 2.221 . . . . 0.0 112.394 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.5 t -43.21 91.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 103' ' ' PRO . 3.6 m -103.45 145.61 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.846 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.526 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -163.67 169.26 18.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.927 0.394 . . . . 0.0 110.853 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 m -126.77 168.97 13.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.86 -173.77 7.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -159.17 151.16 20.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 0.0 110.884 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.7 p -76.04 175.8 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.99 79.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 tpt -52.73 141.71 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.0 110.848 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.36 150.61 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -104.25 158.02 16.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -97.41 74.75 2.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 59.9 p -158.35 110.3 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.886 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -120.12 41.37 3.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 22.9 mmtm -96.25 123.63 39.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.01 -40.79 90.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.402 ' HB2' HG22 ' A' ' 78' ' ' VAL . 72.5 m-85 -104.82 153.6 21.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.9 ttt180 -149.19 107.05 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 41' ' ' ARG . 13.7 p -106.41 123.21 61.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -158.42 173.06 17.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -78.87 113.75 17.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.68 132.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.083 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -76.84 -42.56 39.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 t -152.64 161.09 43.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.67 48.46 3.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -100.7 -47.67 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 152.22 23.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.6 m -117.05 173.14 6.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 41.0 t -105.62 138.11 42.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 50.7 mmtt -99.32 30.59 3.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 9.5 tptt -131.61 -53.29 1.01 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.3 p -110.89 15.11 21.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.949 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t 42.25 55.07 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 8.8 mm-40 -123.34 167.57 13.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.7 p -97.28 104.96 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.448 HG21 ' HD3' ' A' ' 41' ' ' ARG . 45.8 mt -50.75 126.98 25.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.666 0.746 . . . . 0.0 111.096 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.57 65.68 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.659 2.24 . . . . 0.0 112.363 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -79.93 141.51 35.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.5 t0 68.96 42.69 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.7 p -128.53 159.4 35.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.4 tp -82.11 119.58 24.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 18' ' ' VAL . 36.8 ptt180 -138.47 172.98 12.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.0 mtp -129.13 167.97 16.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -133.94 153.33 51.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.116 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.544 HD11 ' CE2' ' A' ' 64' ' ' PHE . 66.3 mt -140.68 127.76 22.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.9 mmt -82.35 108.12 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.9 m -126.66 170.75 16.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.444 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 6.6 tm0? -101.56 122.91 44.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.3 t -100.32 138.55 20.24 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.645 0.736 . . . . 0.0 110.872 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -26.43 27.41 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.9 mmm -78.41 -46.1 20.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -81.81 160.99 23.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -92.34 39.86 1.03 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.84 -128.05 1.25 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.477 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.9 mttt -119.86 162.01 19.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.559 HG23 ' CD2' ' A' ' 57' ' ' HIS . 22.3 m -139.9 142.16 29.86 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.614 0.721 . . . . 0.0 111.137 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 112.18 3.0 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.609 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.1 m170 -94.79 110.24 22.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 95.6 m95 -86.27 128.64 34.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.6 m-85 -128.24 150.06 50.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.494 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.8 m80 -69.02 139.94 54.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.585 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 46.5 t80 -34.02 -33.76 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.494 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.2 m -92.97 -54.99 3.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 82.2 m -45.97 -50.23 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.544 ' CE2' HD11 ' A' ' 44' ' ' ILE . 8.5 t80 -44.63 -32.63 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 63.7 m95 -85.67 -34.97 21.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -52.71 -52.01 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.1 m -48.53 -37.42 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 45.52 0.99 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -110.04 87.07 2.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.763 0.316 . . . . 0.0 110.828 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.408 ' C ' HG13 ' A' ' 71' ' ' ILE . 65.0 p -71.84 161.18 31.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 70' ' ' SER . 77.7 mt -147.08 114.91 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mtt180 -60.08 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 33.4 m-70 -125.19 89.19 53.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.596 0.712 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -13.56 34.86 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.308 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.4 p-10 -61.58 -41.73 97.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.0 m -109.02 -39.79 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -60.11 -44.7 94.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG22 ' HB2' ' A' ' 16' ' ' TYR . 58.6 t -95.43 127.25 47.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.12 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.416 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 9.7 t70 -76.27 152.21 36.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 90.65 -37.83 3.31 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.475 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 14.1 t80 -36.69 -48.85 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.1 t -56.69 -43.07 80.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 80' ' ' GLY . 13.1 mt-10 -62.4 -41.78 98.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 97.4 mt -44.0 153.79 0.12 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.2 mmm-85 -67.66 157.63 34.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 63.2 t90 -45.1 -59.53 2.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -49.89 -55.31 14.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -51.28 -54.25 27.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -43.9 -48.7 8.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.96 -43.32 96.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.56 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.6 ttmt -56.03 -52.17 65.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 90.7 t -52.56 -47.18 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.11 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 38.2 mtmt -59.08 -51.33 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -56.36 -49.1 75.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 83.9 m -61.52 -51.05 70.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.28 -46.69 79.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -54.39 -45.28 72.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.27 -44.14 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 46.38 63.28 3.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -69.34 172.69 37.73 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.3 m -157.65 162.8 38.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 110.881 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 91.39 169.8 42.06 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.69 97.01 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.701 2.267 . . . . 0.0 112.384 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.8 m -75.38 170.8 15.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.2 m -56.66 98.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.533 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -158.92 155.81 28.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.853 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.4 t -160.89 147.26 14.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.37 122.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -112.45 82.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.853 0.359 . . . . 0.0 110.864 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.0 t -55.93 158.15 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.9 73.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.03 130.56 50.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.75 127.36 47.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -145.23 130.13 18.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.2 p -68.19 105.49 2.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.0 t -161.54 114.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -124.08 42.18 3.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -91.96 159.14 15.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -85.63 -48.25 9.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.776 ' HB2' HG22 ' A' ' 78' ' ' VAL . 39.5 m-85 -108.08 153.6 22.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -153.95 107.33 2.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 41' ' ' ARG . 11.0 p -100.12 142.77 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.094 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -171.36 161.0 6.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.422 ' O ' ' C ' ' A' ' 21' ' ' ALA . 35.3 m-85 -71.63 109.97 5.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -35.12 114.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.104 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -63.43 -37.58 87.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 17.8 m -152.68 154.71 35.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.09 62.05 3.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 3.2 ptp180 -131.61 39.24 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.813 0.34 . . . . 0.0 110.842 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -137.11 134.9 36.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m -103.48 168.5 9.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.9 t -107.89 139.37 42.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -104.64 35.16 2.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.821 ' HD3' HG13 ' A' ' 67' ' ' VAL . 10.2 tptp -133.66 -48.75 0.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.3 p -109.46 -7.5 15.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.3 t 65.62 55.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -132.24 176.69 8.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 t -99.94 129.17 45.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.836 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -77.38 127.46 82.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.659 0.743 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.6 62.91 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.736 2.291 . . . . 0.0 112.331 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -77.74 152.34 33.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.942 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 54.52 43.15 30.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 p -123.37 152.3 41.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.798 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.7 tp -77.02 112.74 13.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.882 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.5 ptt180 -133.92 171.34 14.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.425 ' CB ' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -120.95 174.5 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.568 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -141.62 150.38 41.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.664 HG22 HG13 ' A' ' 46' ' ' VAL . 38.4 mt -137.08 135.51 47.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 7.3 mmt -93.2 94.75 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.664 HG13 HG22 ' A' ' 44' ' ' ILE . 27.4 m -115.56 169.04 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -102.68 150.57 23.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.9 t -118.4 145.03 36.34 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.712 0.768 . . . . 0.0 110.818 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -44.24 2.23 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.664 2.243 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.3 mmt -78.74 -43.18 26.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLY . 2.3 t80 -74.56 -1.57 22.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER 33.26 35.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . -159.22 -163.62 13.42 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -101.65 138.69 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.2 m -136.16 137.92 26.0 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.681 0.753 . . . . 0.0 111.094 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 119.94 6.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' CE1' HG21 ' A' ' 46' ' ' VAL . 20.8 m170 -105.9 115.34 30.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 68.5 m95 -93.74 134.12 36.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CE1' HD12 ' A' ' 44' ' ' ILE . 87.2 m-85 -127.9 155.27 44.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.4 m80 -68.19 140.45 56.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.595 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 28.4 t80 -33.69 -37.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 60' ' ' HIS . 80.1 p -87.97 -55.83 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 93.3 m -45.05 -52.54 8.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD2' ' CB ' ' A' ' 42' ' ' MET . 41.0 t80 -43.86 -35.11 1.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.595 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 41.3 m95 -85.63 -31.91 22.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.7 mttt -53.97 -51.69 63.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.821 HG13 ' HD3' ' A' ' 30' ' ' LYS . 11.6 m -49.66 -43.89 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.69 48.04 0.47 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.473 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -100.37 96.18 7.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.8 m -81.7 139.38 34.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.623 HD13 HG21 ' A' ' 78' ' ' VAL . 46.1 mt -133.88 100.06 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -47.59 -62.34 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 3.2 m170 -126.41 94.64 40.27 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.567 0.699 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.9 Cg_endo -69.75 -21.02 34.13 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.7 2.267 . . . . 0.0 112.36 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.61 ' OD2' HG13 ' A' ' 76' ' ' VAL . 7.4 p-10 -57.57 -37.94 73.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.61 HG13 ' OD2' ' A' ' 75' ' ' ASP . 34.3 m -111.02 -45.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.519 ' N ' HG23 ' A' ' 76' ' ' VAL . 20.9 mt-10 -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.776 HG22 ' HB2' ' A' ' 16' ' ' TYR . 92.0 t -96.31 130.28 45.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.16 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -77.31 165.36 24.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 82.6 -37.46 2.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.526 ' HA ' HD12 ' A' ' 84' ' ' LEU . 14.8 t80 -38.28 -54.98 1.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 39.9 t -55.09 -43.01 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.13 -41.95 97.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.526 HD12 ' HA ' ' A' ' 81' ' ' PHE . 52.3 mt -50.44 168.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 46.3 mmm-85 -85.95 162.94 18.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -45.5 -53.03 9.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -51.19 -61.63 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -56.76 8.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -38.97 -43.78 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -70.56 -56.16 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -40.5 -51.8 2.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 65.0 t -66.86 -35.79 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.119 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -59.83 -66.93 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -49.38 -52.78 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 62.3 m -53.71 -57.16 11.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -41.94 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.087 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -43.06 -45.47 5.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.47 -43.42 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.13 -56.06 1.1 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.459 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -156.67 127.6 2.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.487 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 2.5 t -97.77 120.78 38.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.393 . . . . 0.0 110.856 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -64.87 -94.76 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.533 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 91.16 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 55.9 p -137.85 155.93 48.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 t -45.89 -54.6 7.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.3 p -166.39 173.55 9.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -133.73 157.62 45.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.2 172.86 45.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -134.92 148.4 50.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.861 0.362 . . . . 0.0 110.916 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 t -94.19 146.22 24.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 126.37 0.5 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.7 tpt -38.95 126.28 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -128.67 105.13 8.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -109.8 103.04 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.8 t -168.91 150.75 4.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 83.2 p 38.49 39.25 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -107.82 80.12 1.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -101.26 125.35 47.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.1 mt -50.83 -44.96 59.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -115.6 163.61 15.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -159.13 113.81 2.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.571 HG12 HG12 ' A' ' 78' ' ' VAL . 14.9 p -110.99 134.08 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.5 170.54 15.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.3 m-85 -75.48 104.79 6.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.891 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.84 122.67 0.46 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.084 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.84 -48.71 68.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.3 t -137.44 158.8 43.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.62 43.57 3.24 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -100.35 -43.88 6.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.864 0.364 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.36 138.11 55.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 p -107.11 162.13 14.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.1 t -92.52 170.99 9.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 55.1 mmtt -120.11 -36.33 3.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -68.98 -34.47 75.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 20.0 p -118.59 -27.82 5.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.5 t 72.8 49.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -118.82 176.71 5.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 87.7 p -94.06 103.41 15.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.8 125.59 47.32 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.606 0.717 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.32 47.48 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.654 2.236 . . . . 0.0 112.346 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -65.21 148.25 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.14 43.28 11.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.3 p -127.74 148.45 50.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 61' ' ' PHE . 14.7 tp -73.46 106.97 5.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.5 ptt180 -122.89 161.36 24.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.518 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 1.1 mmt -115.25 160.04 20.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.51 131.96 43.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.085 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.793 HD12 ' CD2' ' A' ' 59' ' ' TYR . 54.4 mt -119.93 138.16 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 3.7 mmt -95.86 101.06 12.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.605 HG21 ' CE1' ' A' ' 57' ' ' HIS . 10.8 m -111.6 165.66 6.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -94.31 106.41 18.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.7 p -68.47 122.03 82.95 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.689 0.757 . . . . 0.0 110.888 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -35.11 13.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.5 mtt -75.94 -46.83 27.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -80.86 178.72 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 p30 -111.15 43.73 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.29 -159.11 21.34 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -105.37 143.02 34.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.519 HG23 ' CD2' ' A' ' 57' ' ' HIS . 21.3 m -122.19 138.7 29.33 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 110.71 2.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.605 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 m170 -95.14 114.96 26.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.492 ' CE3' ' HD2' ' A' ' 41' ' ' ARG . 92.9 m95 -86.79 133.35 33.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 44' ' ' ILE . 70.9 m-85 -133.59 130.47 38.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.952 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 22.5 m80 -50.18 160.87 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 27.9 t80 -50.17 -35.79 27.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 61.1 p -93.0 -44.7 8.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 34.6 m -48.55 -51.37 27.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 20.3 t80 -47.34 -34.07 6.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.575 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 50.8 m95 -87.68 -33.65 18.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -53.35 -49.39 67.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 ' HD2' ' A' ' 69' ' ' HIS . 18.8 m -51.24 -34.62 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.9 43.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' HD2' HG21 ' A' ' 67' ' ' VAL . 16.9 m-70 -99.49 119.96 38.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.848 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 60.0 p -99.61 153.37 19.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.808 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.604 HD13 ' CG2' ' A' ' 78' ' ' VAL . 96.6 mt -146.48 130.84 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 -79.47 -61.72 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 73.1 m-70 -128.73 90.92 44.75 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.577 0.703 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.7 Cg_endo -69.73 -16.35 37.63 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.399 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.515 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.1 p-10 -56.06 -37.17 68.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.81 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 77' ' ' GLU . 28.9 m -111.17 -39.89 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.401 ' N ' HG23 ' A' ' 76' ' ' VAL . 36.0 mt-10 -65.38 -56.87 10.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.879 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.604 ' CG2' HD13 ' A' ' 71' ' ' ILE . 91.6 t -82.06 106.18 12.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -58.26 160.83 4.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.452 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 86.68 -39.33 3.08 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.488 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.655 ' HA ' HD12 ' A' ' 84' ' ' LEU . 17.3 t80 -34.97 -56.98 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.423 ' HA ' ' NE2' ' A' ' 89' ' ' GLN . 2.0 t -57.4 -41.5 80.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.7 mt-10 -61.95 -42.27 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.655 HD12 ' HA ' ' A' ' 81' ' ' PHE . 24.5 mt -54.81 150.55 9.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.3 mmm180 -67.16 159.79 28.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -44.95 -51.39 9.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -48.59 -55.65 10.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.1 m-20 -58.3 -58.66 7.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' A' ' 82' ' ' SER . 76.9 mt-30 -38.36 -46.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -66.1 -49.81 66.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -45.88 -60.21 2.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.424 ' O ' ' C ' ' A' ' 93' ' ' LYS . 87.4 t -49.09 -60.04 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 92' ' ' VAL . 24.2 mtpp -36.27 -62.96 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -49.18 -52.14 28.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.6 m -53.97 -57.16 12.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -44.98 -46.69 11.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.76 -45.84 59.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.786 ' HB1' ' O ' ' A' ' 101' ' ' SER . . . -51.22 -41.88 60.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.07 -68.5 2.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -128.9 -52.65 0.11 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.786 ' O ' ' HB1' ' A' ' 98' ' ' ALA . 2.6 m -92.3 143.86 25.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.957 0.408 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -130.73 121.46 3.26 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.06 20.08 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.692 2.261 . . . . 0.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.3 t -77.74 126.09 30.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.0 m -117.98 160.31 21.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.798 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -139.33 173.82 11.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.5 m -161.26 114.42 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.7 149.16 17.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.0 p -75.26 164.94 25.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -131.47 119.28 21.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.37 65.18 1.09 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.7 mtt -113.76 131.7 56.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -99.64 136.62 39.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -123.44 99.63 6.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 t -90.15 44.82 1.22 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.2 p -123.63 113.14 18.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -90.18 71.21 7.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm -130.73 122.0 26.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.72 -40.17 94.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.403 ' HB2' HG22 ' A' ' 78' ' ' VAL . 36.0 m-85 -113.87 153.34 29.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 ttm180 -149.84 107.52 3.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 41' ' ' ARG . 12.6 p -99.55 137.36 27.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -169.95 158.93 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.6 m-85 -68.1 104.04 1.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.33 141.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.131 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -87.0 -43.31 12.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.8 m -145.45 146.94 31.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.8 67.17 3.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ppt_? -121.07 -40.42 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 110.82 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.519 ' HB1' ' CD1' ' A' ' 58' ' ' TRP . . . -65.71 122.88 18.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.3 m -83.25 171.38 13.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 52.4 t -100.37 135.21 42.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.7 mmtt -91.51 28.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.742 ' HD3' HG13 ' A' ' 67' ' ' VAL . 10.1 tptp -133.34 -54.25 0.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 28.7 p -109.36 15.31 23.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m 39.98 54.99 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.408 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 5.4 mm-40 -120.34 174.64 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.7 p -100.28 99.73 10.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.552 HG21 ' HD3' ' A' ' 41' ' ' ARG . 96.9 mt -45.75 124.61 6.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 148.19 64.33 Favored 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.33 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 39.4 tttm -67.93 165.6 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 8.2 p-10 38.97 48.33 1.39 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.1 p -128.46 154.5 46.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -79.56 113.09 17.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.918 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.552 ' HD3' HG21 ' A' ' 35' ' ' ILE . 19.2 ptt180 -133.29 173.35 11.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.8 mtp -125.58 160.9 28.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.414 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -129.78 116.72 19.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.054 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.56 HD11 ' CE2' ' A' ' 64' ' ' PHE . 86.6 mt -104.91 131.0 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.086 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 68.2 mmm -90.32 115.64 27.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.1 m -132.4 177.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -103.82 131.05 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.1 t -101.62 138.37 19.84 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.685 0.755 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -36.52 10.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.246 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mpp? -70.51 -45.02 66.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -87.12 162.46 17.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -98.79 38.58 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -169.24 -148.98 6.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.442 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -108.32 150.29 27.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG23 ' CD2' ' A' ' 57' ' ' HIS . 26.8 m -129.37 139.79 36.73 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.566 0.698 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 120.63 7.39 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.336 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.2 m170 -106.74 114.73 29.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.519 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 84.7 m95 -87.7 129.35 35.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 72.9 m-85 -128.36 149.64 50.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.454 ' O ' ' N ' ' A' ' 62' ' ' SER . 22.5 m80 -70.85 140.28 51.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 23.7 t80 -36.22 -32.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -93.09 -54.75 3.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 66.4 m -44.89 -48.36 11.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' HD11 ' A' ' 44' ' ' ILE . 11.6 t80 -47.3 -32.87 5.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.579 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 59.4 m95 -87.05 -31.35 20.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -55.34 -51.96 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.742 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.9 m -53.54 -38.09 32.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.134 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.74 47.92 0.82 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.449 ' CE1' HD13 ' A' ' 44' ' ' ILE . 4.4 m-70 -102.25 84.54 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.799 0.333 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.401 ' C ' HG13 ' A' ' 71' ' ' ILE . 19.1 p -65.44 156.43 32.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 74.1 mt -146.42 120.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.128 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -62.44 -70.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -122.93 91.16 49.97 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.548 0.69 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HG3' ' CB ' ' A' ' 96' ' ' ALA . 53.6 Cg_endo -69.8 -8.34 23.35 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.659 2.24 . . . . 0.0 112.362 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.577 ' OD2' HG13 ' A' ' 76' ' ' VAL . 4.7 p-10 -72.91 -33.74 66.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.577 HG13 ' OD2' ' A' ' 75' ' ' ASP . 16.0 m -115.28 -28.31 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -74.67 -49.88 19.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.433 HG12 HG12 ' A' ' 18' ' ' VAL . 90.7 t -84.94 105.71 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -55.41 160.39 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.93 -37.97 2.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.509 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 4.5 t80 -35.61 -52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 27.0 t -56.0 -40.56 73.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.834 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 80' ' ' GLY . 90.8 mt-10 -61.93 -42.79 99.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 83.7 mt -47.08 157.63 0.17 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -74.69 161.9 29.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -41.59 -55.84 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -52.85 -63.91 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -45.73 -46.01 14.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -52.15 -55.06 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -61.98 -43.28 99.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -50.23 -42.78 52.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 78.9 t -74.62 -41.02 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -58.17 -42.39 85.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -72.18 -48.0 46.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.6 m -56.88 -50.1 73.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.162 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.401 ' CB ' ' HG3' ' A' ' 74' ' ' PRO . . . -52.57 -47.56 66.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -54.88 -47.31 74.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 99' ' ' GLY . . . -58.4 -42.98 88.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 98' ' ' ALA . . . -34.78 -40.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.5 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 99' ' ' GLY . . . -35.9 -80.33 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.499 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.6 t -88.58 91.53 8.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -53.66 139.63 35.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.484 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -174.46 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 p -108.04 163.06 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.2 m -103.34 176.86 5.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -160.23 128.62 4.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.377 . . . . 0.0 110.867 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.6 p -174.48 125.29 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.09 127.74 2.25 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.6 m -54.43 -53.92 47.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.832 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 p -149.98 163.16 38.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.95 134.88 10.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.6 mtm -81.9 83.57 7.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -170.4 112.16 0.42 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -45.73 116.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 86.6 p -130.91 129.2 41.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 72.8 m -105.39 120.96 42.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -89.12 47.5 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -68.91 162.18 27.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.4 mt -74.93 -46.32 36.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.431 ' HB2' HG22 ' A' ' 78' ' ' VAL . 64.1 m-85 -109.41 159.36 17.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -159.13 113.7 2.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.865 HG23 ' O ' ' A' ' 41' ' ' ARG . 11.9 p -109.27 135.41 48.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -161.81 153.96 19.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -62.37 114.82 3.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -41.28 128.97 2.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 mmtp -79.34 -43.45 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.6 t -139.82 157.64 45.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.02 44.73 3.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -101.39 -45.58 5.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.43 145.37 18.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -112.17 174.86 5.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 39.3 t -106.85 142.7 36.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 65.0 mmtt -104.25 34.4 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 5.5 tptp -135.0 -54.36 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.1 p -99.52 -17.46 17.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.2 t 72.29 46.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -125.07 173.98 8.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 54.7 p -90.94 127.04 36.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.2 mt -72.49 127.8 89.51 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 111.118 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 150.22 67.85 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.73 2.286 . . . . 0.0 112.301 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 tttm -74.48 152.35 39.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.8 t70 55.13 42.94 30.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.7 p -126.07 144.98 50.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 61' ' ' PHE . 26.0 tp -69.96 117.26 11.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.865 ' O ' HG23 ' A' ' 18' ' ' VAL . 31.8 ptt180 -132.76 164.13 27.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 36.7 mtp -118.27 156.79 28.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -128.42 129.18 45.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.599 HD12 ' CE2' ' A' ' 59' ' ' TYR . 51.1 mt -114.51 132.59 63.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.68 98.49 11.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.411 ' O ' ' CB ' ' A' ' 54' ' ' LYS . 17.0 m -106.43 176.6 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 43.2 tp60 -111.05 111.15 22.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.9 m -82.7 135.11 46.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.667 0.746 . . . . 0.0 110.854 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -43.04 2.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 83.1 mtp -65.31 -44.52 87.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -80.67 162.93 23.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -97.11 42.11 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.15 -152.51 12.22 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' CB ' ' O ' ' A' ' 46' ' ' VAL . 49.8 mttt -104.33 164.64 11.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -141.85 139.21 17.94 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.674 0.75 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.6 3.75 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.367 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.466 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 10.1 m170 -103.03 112.5 25.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 81.3 m95 -86.7 132.09 33.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CE2' HD12 ' A' ' 44' ' ' ILE . 80.0 m-85 -129.69 153.91 47.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -69.57 143.56 53.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.596 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.7 t80 -39.62 -31.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.9 t -93.92 -53.9 3.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 80.7 m -46.1 -48.68 17.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 21.3 t80 -46.92 -32.49 3.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.596 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.8 m95 -86.58 -32.39 20.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -54.13 -52.21 61.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 11.4 m -51.77 -41.03 28.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.52 41.86 0.71 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -106.76 97.13 6.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.814 0.34 . . . . 0.0 110.831 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.6 t -87.85 158.42 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.539 HD13 HG21 ' A' ' 78' ' ' VAL . 26.6 mt -140.74 112.89 4.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -59.38 -55.84 29.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.815 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 58.8 m-70 -131.37 93.27 29.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.597 0.713 . . . . 0.0 110.843 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.5 Cg_endo -69.8 -10.72 29.22 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.26 . . . . 0.0 112.282 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 3.4 t0 -69.85 -39.03 76.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.885 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -110.11 -37.89 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.04 -46.65 77.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.539 HG21 HD13 ' A' ' 71' ' ' ILE . 59.1 t -96.0 120.01 44.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.137 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.427 ' OD1' ' N ' ' A' ' 80' ' ' GLY . 35.5 t0 -72.84 131.96 42.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 119.07 -38.38 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.504 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.598 ' HA ' HD12 ' A' ' 84' ' ' LEU . 78.8 t80 -35.9 -58.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 46.5 t -50.32 -44.79 54.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -61.68 -41.7 97.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 81' ' ' PHE . 89.9 mt -50.66 166.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.96 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.9 mtt180 -87.94 162.64 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -45.96 -57.51 4.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -43.22 -62.26 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -53.43 -57.58 10.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -38.62 -44.63 1.0 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.7 mm-40 -69.99 -45.75 66.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 16.5 ttmt -54.8 -59.98 3.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 93.4 t -55.24 -42.53 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -49.93 -54.13 21.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -63.86 -58.61 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.87 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 22.3 m -45.43 -43.73 11.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.03 -45.5 67.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.097 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.52 -45.56 84.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.39 -43.95 65.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 100.62 -70.08 0.45 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.462 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 137.32 -162.12 25.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 24.5 t 48.36 40.98 15.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -104.01 -75.78 1.07 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -173.8 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.355 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.9 m -77.39 139.52 39.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.811 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.4 p -127.66 -28.63 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.6 p -117.93 171.04 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.1 m -157.82 146.42 19.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.862 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.75 -166.83 26.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.491 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.2 p -141.46 156.33 45.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 p -148.46 108.61 4.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.56 67.94 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.0 mmt -87.75 83.95 7.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.43 119.94 7.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -128.49 91.79 3.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 65.7 p -55.52 -52.91 62.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 m -53.25 117.13 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -97.37 41.85 1.11 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 79' ' ' ASP . 35.6 mttp -70.26 161.89 29.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.5 mt -89.8 -42.95 10.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.545 ' HB2' HG22 ' A' ' 78' ' ' VAL . 24.5 m-85 -104.57 158.31 16.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.924 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -146.73 107.4 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 41' ' ' ARG . 5.3 p -103.08 123.62 56.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -154.76 169.37 24.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -72.62 137.56 46.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.942 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -56.4 146.44 24.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.09 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -96.78 -42.19 8.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 m -144.8 159.38 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -81.37 47.77 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' ALA . 77.3 mtp85 -113.5 -54.89 2.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.898 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.406 ' CB ' HH12 ' A' ' 41' ' ' ARG . . . -37.27 124.58 0.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.9 p -97.69 155.63 16.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.5 t -89.97 136.55 32.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 14.9 mmtp -96.85 28.72 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -130.8 -53.41 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.413 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 30.9 p -110.45 16.37 21.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 p 41.05 54.91 3.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 19.3 mt-10 -124.41 177.71 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.1 t -99.76 126.99 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 33.0 mt -75.32 126.95 87.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.615 0.721 . . . . 0.0 111.09 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.25 47.39 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.708 2.272 . . . . 0.0 112.349 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -68.41 149.0 49.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 57.16 43.86 23.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.429 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 79.1 p -128.14 145.54 50.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.5 114.16 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.614 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.8 ptt180 -132.63 164.26 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.834 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 36.1 mtp -117.52 162.47 17.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.591 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -135.06 155.84 50.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.744 HG22 HG13 ' A' ' 46' ' ' VAL . 53.5 mt -137.47 112.77 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 3.1 mmt -69.18 105.6 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.744 HG13 HG22 ' A' ' 44' ' ' ILE . 27.1 m -129.75 176.28 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.101 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -113.86 134.69 54.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.4 t -84.31 135.34 41.62 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.656 0.741 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -32.97 17.48 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 44.3 mtm -82.8 -43.9 16.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -79.34 171.47 15.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -111.19 40.73 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.01 -163.37 18.08 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.484 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.5 mttt -103.96 147.25 27.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.834 0.349 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 m -133.83 134.76 23.65 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.665 0.745 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 120.32 7.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.678 2.252 . . . . 0.0 112.353 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 46' ' ' VAL . 21.0 m170 -103.49 112.05 24.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.591 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 74.8 m95 -86.32 145.56 26.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.9 m-85 -145.17 130.94 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' SER . 20.2 m80 -49.37 136.52 15.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 33.4 t80 -35.97 -30.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 60' ' ' HIS . 23.1 p -93.06 -55.33 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 72.2 m -46.2 -40.43 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.431 ' CD1' ' C ' ' A' ' 64' ' ' PHE . 4.8 t80 -53.64 -34.17 57.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.9 m95 -88.31 16.46 6.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -105.02 -47.49 3.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 4.4 m -53.26 -27.3 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.14 41.18 3.32 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.7 m170 -96.09 84.99 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.791 0.329 . . . . 0.0 110.857 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.424 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.2 t -56.9 148.32 21.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 70' ' ' SER . 89.4 mt -149.39 118.65 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -72.29 -65.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -131.06 98.47 18.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.579 0.704 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -20.22 35.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.343 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.528 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 1.5 t70 -56.24 -40.68 74.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.471 HG13 ' OD2' ' A' ' 75' ' ' ASP . 27.4 m -107.88 -32.27 2.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.151 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -73.33 -49.34 27.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.593 HG12 HG12 ' A' ' 18' ' ' VAL . 58.9 t -94.68 129.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.134 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.483 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 26.2 t70 -75.95 167.1 22.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.796 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.84 -34.99 2.52 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.528 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 28.5 t80 -38.86 -44.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.891 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.6 t -61.88 -37.56 85.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.7 mt-10 -66.61 -41.42 88.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.2 mt -51.17 147.88 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.79 162.39 5.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -48.29 -54.47 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -50.45 -60.17 3.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -50.13 -48.58 53.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -47.75 -48.22 30.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.97 -43.76 67.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 22.5 ttmt -50.79 -54.77 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.1 t -60.0 -43.15 91.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.152 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.6 mttm -48.02 -55.9 9.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -59.52 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.1 m -40.12 -52.87 2.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.45 -47.42 7.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -60.96 -47.05 88.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.86 -43.47 63.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.59 97.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -46.39 110.77 0.56 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.0 m -64.38 126.42 27.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.927 0.394 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.12 116.36 9.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -26.7 27.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.258 . . . . 0.0 112.303 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.7 t -143.26 157.02 44.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.832 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 56.4 m -57.91 153.59 13.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -77.18 -43.95 31.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t 42.5 42.11 2.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.01 -168.12 13.56 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -105.13 154.07 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 t -67.64 -47.35 69.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 121.9 95.12 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -55.61 166.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.762 0.315 . . . . 0.0 110.888 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.78 126.8 28.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -84.0 92.15 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 p -134.29 -37.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 m -152.18 139.36 19.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -129.66 44.71 2.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.7 mttp -54.08 147.81 12.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.4 mt -45.5 -53.54 8.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -107.94 167.02 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.432 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 50.9 ttp180 -154.66 110.71 3.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.475 HG12 HG12 ' A' ' 78' ' ' VAL . 9.7 p -107.9 141.32 23.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -174.8 163.29 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.452 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.6 m-85 -75.18 106.96 6.96 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.452 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.5 113.05 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -40.95 97.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.408 ' HA ' ' CE ' ' A' ' 37' ' ' LYS . 20.1 m -147.43 143.89 28.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.47 70.23 1.94 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.496 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -119.93 -54.77 2.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.81 0.338 . . . . 0.0 110.856 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.97 157.4 0.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.8 p -121.93 145.57 47.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.5 t -80.25 140.09 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 2.4 mmmm -100.91 29.31 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.939 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.663 ' HD3' HG13 ' A' ' 67' ' ' VAL . 16.4 tptt -131.9 -53.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -100.44 -2.9 32.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m 56.0 50.69 13.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -127.64 171.77 11.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 m -95.59 107.58 19.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.603 HG21 ' HD3' ' A' ' 41' ' ' ARG . 26.8 mt -52.37 121.56 21.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.652 0.739 . . . . 0.0 111.091 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 150.34 68.17 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.701 2.268 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 23' ' ' SER . 31.4 ttmt -70.82 148.01 48.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 63.13 41.81 7.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 54.0 p -124.79 151.22 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.4 tp -78.83 107.87 11.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.603 ' HD3' HG21 ' A' ' 35' ' ' ILE . 32.6 ptt180 -130.84 156.17 45.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 45.6 mtp -114.68 162.61 16.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -129.43 148.37 51.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.122 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 59' ' ' TYR . 48.8 mt -130.22 146.27 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.102 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.5 mmt -101.44 113.81 27.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.731 HG21 ' CE1' ' A' ' 57' ' ' HIS . 14.9 m -131.7 173.29 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.164 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -88.42 138.38 31.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.956 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.469 ' HB2' HG13 ' A' ' 55' ' ' VAL . 1.2 t -98.15 128.32 33.91 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.671 0.748 . . . . 0.0 110.876 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -0.71 7.31 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.736 2.29 . . . . 0.0 112.336 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.9 mtp -91.79 -49.63 6.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.513 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 4.6 p90 -127.62 166.46 18.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -78.25 46.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' CE2' ' A' ' 51' ' ' PHE . . . -136.51 -158.2 7.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -131.04 144.65 51.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG13 ' HB2' ' A' ' 48' ' ' SER . 29.0 m -118.33 140.0 27.55 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 116.88 4.77 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.652 2.235 . . . . 0.0 112.368 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.731 ' CE1' HG21 ' A' ' 46' ' ' VAL . 22.9 m170 -100.02 111.99 24.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.856 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 86.5 m95 -86.38 140.11 30.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.542 ' CD2' HD12 ' A' ' 44' ' ' ILE . 68.0 m-85 -143.81 137.62 28.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -58.46 149.93 23.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.582 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.4 t80 -43.17 -34.48 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.6 t -90.43 -51.13 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.904 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 69.8 m -47.65 -47.74 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.733 ' CE1' HD11 ' A' ' 71' ' ' ILE . 26.4 t80 -48.8 -31.1 6.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.3 m95 -88.46 -28.27 20.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -57.0 -50.81 71.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.663 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.5 m -55.62 -39.02 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.162 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.07 47.05 0.9 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.51 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -103.56 83.29 2.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 84.8 p -64.0 149.69 46.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.733 HD11 ' CE1' ' A' ' 64' ' ' PHE . 32.9 mt -138.17 117.87 15.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.15 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -65.42 -65.37 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.824 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -125.48 90.18 51.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.565 0.697 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.646 ' HA ' HG23 ' A' ' 78' ' ' VAL . 53.6 Cg_endo -69.77 -18.04 37.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.641 2.227 . . . . 0.0 112.323 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.6 ' OD2' HG13 ' A' ' 76' ' ' VAL . 1.3 p-10 -68.56 -27.09 65.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.6 HG13 ' OD2' ' A' ' 75' ' ' ASP . 13.1 m -116.08 -29.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -83.07 -39.03 21.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.883 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.646 HG23 ' HA ' ' A' ' 74' ' ' PRO . 21.5 t -100.62 100.95 11.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.137 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -56.8 142.69 39.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.416 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.17 -38.71 3.12 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.526 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 16.3 t80 -38.31 -55.34 1.35 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 62.7 p -56.23 -37.57 69.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 80' ' ' GLY . 25.7 mt-10 -64.21 -39.78 94.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.0 mt -46.68 169.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 86' ' ' TRP . 18.4 mtm105 -86.57 151.38 23.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.43 ' C ' ' O ' ' A' ' 85' ' ' ARG . 76.9 t90 -34.61 -59.51 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.29 -65.62 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -48.46 -56.31 8.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -39.23 -45.46 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -68.16 -43.16 78.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.436 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.9 ttmt -54.1 -46.65 72.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.403 HG22 ' HE1' ' A' ' 61' ' ' PHE . 85.5 t -65.59 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.127 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -58.15 -67.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -52.93 -59.6 4.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 78.5 m -44.86 -54.3 6.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.72 -52.29 60.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.099 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -56.07 -37.65 69.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.74 11.94 8.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.077 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.81 63.41 1.96 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.523 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -130.24 -112.85 1.56 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 85.1 p -82.26 144.54 30.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 0.0 110.879 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -173.1 -129.27 1.14 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.466 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 159.53 53.04 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.7 p -84.96 166.53 16.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.5 t -168.23 152.72 6.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 p -161.19 159.2 28.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 t -48.64 115.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.867 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.35 161.67 33.91 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.2 p -82.1 135.26 35.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.942 0.401 . . . . 0.0 110.843 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.9 m -87.6 42.17 1.03 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.12 -62.28 2.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.9 mtm -62.84 142.17 58.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.77 0.319 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' GLU . . . -112.42 109.56 19.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' ALA . 47.9 mm-40 -36.61 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 92.9 p -46.96 -44.3 19.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.3 m -57.82 148.67 24.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -131.02 42.04 3.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.424 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 26.2 mmtm -75.13 125.97 30.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -62.19 -43.21 99.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.4 m-85 -110.98 165.15 12.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -157.92 107.91 2.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 41' ' ' ARG . 7.8 p -100.54 136.43 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -170.13 165.2 9.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.2 m-85 -73.11 108.56 6.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.44 111.8 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.03 -48.14 79.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.4 p -142.78 161.24 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.13 43.03 2.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -115.03 41.17 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 110.905 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.45 123.37 33.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 37.5 p -98.63 125.41 43.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.923 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 46.4 t -72.16 135.28 46.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.529 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 48.8 mmtt -98.72 32.04 2.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 7.8 tptp -131.6 -50.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.928 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.5 p -105.75 -6.07 19.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 t 60.47 48.95 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -126.1 172.32 10.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 91.2 p -93.77 116.14 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.808 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 47.9 mt -68.14 127.94 93.26 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.64 0.733 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.05 47.42 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.462 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 23.4 ttpt -86.79 150.12 24.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.462 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 38.5 t70 64.32 42.04 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.3 p -128.25 158.65 37.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -81.11 115.4 20.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 18' ' ' VAL . 30.5 ptt180 -135.94 165.17 26.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.531 ' SD ' HG11 ' A' ' 78' ' ' VAL . 1.7 mmt -116.93 169.69 9.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -136.64 152.83 50.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 HD12 ' CE2' ' A' ' 59' ' ' TYR . 77.3 mt -135.54 135.53 51.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.9 mmt -93.33 103.02 15.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.6 170.38 8.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.1 tm0? -96.52 126.86 42.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -77.5 130.93 72.66 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.635 0.731 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -14.76 36.55 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.635 2.223 . . . . 0.0 112.351 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 32.3 mmm -79.21 -52.7 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 26.6 p90 -122.83 165.4 16.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -78.65 45.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -128.75 -162.36 10.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.7 mttm -132.91 145.1 50.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.851 0.358 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.58 138.34 31.68 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.61 0.719 . . . . 0.0 111.131 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 123.31 9.98 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 9.8 m170 -105.67 113.0 26.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.548 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 81.2 m95 -86.49 131.35 34.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 60.1 m-85 -132.2 133.68 44.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -49.51 148.23 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 33.7 t80 -42.54 -33.39 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 75.0 p -93.01 -54.14 3.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.826 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 66' ' ' LYS . 97.3 m -45.72 -51.93 11.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 42' ' ' MET . 27.1 t80 -41.7 -34.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.512 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 71.1 m95 -85.31 -33.7 22.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 63' ' ' CYS . 20.1 mttp -54.19 -51.42 64.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 m -45.84 -36.74 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.91 40.19 1.1 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.453 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -117.04 86.11 2.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.775 0.322 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -83.87 150.74 25.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.971 ' O ' ' HB1' ' A' ' 96' ' ' ALA . 21.7 mt -134.35 120.89 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.146 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -64.76 -58.48 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.549 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 0.1 OUTLIER -125.65 86.64 57.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.599 0.714 . . . . 0.0 110.837 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -12.5 33.08 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.565 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 1.9 p-10 -62.56 -38.8 91.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 77' ' ' GLU . 30.5 m -106.14 -43.53 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 76' ' ' VAL . 22.3 mt-10 -65.2 -52.44 54.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.807 ' CG2' HD13 ' A' ' 71' ' ' ILE . 57.8 t -88.61 116.78 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.165 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.424 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 6.9 t0 -68.51 164.83 20.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.65 -40.47 2.45 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.565 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 2.5 t80 -39.59 -43.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.919 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.0 t -58.63 -42.19 87.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 80' ' ' GLY . 35.9 mt-10 -61.19 -42.67 98.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 81' ' ' PHE . 47.5 mt -47.05 148.34 1.16 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.939 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -63.19 179.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.51 ' CH2' ' HG3' ' A' ' 90' ' ' GLN . 64.5 t90 -64.03 -52.0 61.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -47.89 -60.24 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 89' ' ' GLN . 8.9 m-20 -50.47 -62.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 88' ' ' ASP . 41.7 mt-30 -35.98 -54.94 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.51 ' HG3' ' CH2' ' A' ' 86' ' ' TRP . 7.6 mm100 -59.63 -42.11 91.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.5 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 18.0 ttmm -58.51 -47.53 83.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.95 -43.19 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -48.03 -65.43 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -55.54 -52.72 62.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.3 m -45.63 -50.71 13.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.971 ' HB1' ' O ' ' A' ' 71' ' ' ILE . . . -50.01 -50.74 46.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.12 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -55.14 -47.27 75.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.18 -41.1 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.1 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 88.42 -63.56 3.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.444 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 152.65 -64.37 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.1 m -92.5 179.35 5.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.63 -130.77 6.77 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 5.49 1.69 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.334 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 39.8 m -113.14 161.41 17.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 71.7 m -97.43 -44.09 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.52 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -168.65 162.16 11.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.874 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -166.5 165.37 16.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.65 -172.82 17.15 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -133.64 146.56 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.878 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -108.1 175.79 5.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.827 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.56 68.28 0.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.4 mtp -146.28 167.0 24.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.86 172.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -98.01 93.67 6.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.4 p -113.98 -43.39 3.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 m -91.72 93.97 9.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -88.26 11.9 15.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 mttt -53.55 177.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -114.42 -45.32 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.531 ' HB2' HG22 ' A' ' 78' ' ' VAL . 48.8 m-85 -103.03 158.62 16.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 ttt85 -150.1 107.14 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.701 HG12 HG12 ' A' ' 78' ' ' VAL . 9.3 p -107.64 138.26 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -175.25 171.98 2.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 16.6 m-85 -74.53 102.59 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.86 127.96 0.38 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.097 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -46.18 78.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.7 p -148.99 177.28 9.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.52 44.37 2.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.9 ptt180 -110.19 29.45 7.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.8 0.333 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.22 139.9 53.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.4 p -108.72 147.92 31.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.8 t -91.48 132.31 36.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.826 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.526 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 1.4 mmmp? -98.07 33.27 2.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HD3' HG13 ' A' ' 67' ' ' VAL . 23.2 tptt -132.58 -51.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.4 p -113.06 11.92 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t 47.0 55.03 8.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 18.9 mt-10 -129.79 172.9 11.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 49.3 m -97.49 131.25 44.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.541 HG21 ' HD3' ' A' ' 41' ' ' ARG . 21.0 mt -77.58 128.3 80.24 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 147.94 63.69 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.65 2.233 . . . . 0.0 112.344 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 21.2 ttpt -73.38 150.45 41.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.473 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.2 m-20 57.03 44.73 22.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.9 p -129.32 147.96 51.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.2 tp -68.97 106.47 2.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 18' ' ' VAL . 20.9 ptt180 -128.3 171.91 11.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 53.4 mtp -127.22 166.14 18.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.663 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -138.64 150.21 46.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.459 HD12 ' CE2' ' A' ' 59' ' ' TYR . 70.6 mt -128.83 138.34 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 4.0 mmt -100.77 102.74 13.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 HG13 HG22 ' A' ' 44' ' ' ILE . 27.7 m -120.61 171.16 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -93.6 137.86 32.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -90.05 129.84 44.54 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.674 0.75 . . . . 0.0 110.884 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 3.13 2.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.281 . . . . 0.0 112.325 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -48.64 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -126.61 171.81 10.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.61 44.77 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.08 -162.48 10.2 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -131.22 160.3 35.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.503 HG23 ' CD2' ' A' ' 57' ' ' HIS . 29.6 m -135.73 135.63 22.2 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.719 . . . . 0.0 111.123 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.26 7.95 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.379 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.503 ' CD2' HG23 ' A' ' 55' ' ' VAL . 20.4 m170 -107.08 109.14 20.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.663 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 89.5 m95 -86.12 131.44 34.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.526 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -131.75 141.44 49.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' PHE . 23.4 m80 -58.71 140.23 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.537 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 39.0 t80 -35.56 -35.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' HIS . 2.9 m -89.62 -56.56 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.477 ' O ' ' N ' ' A' ' 66' ' ' LYS . 66.5 m -43.84 -53.78 5.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.542 ' CE1' HD11 ' A' ' 71' ' ' ILE . 4.8 t80 -38.46 -37.67 0.32 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.874 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.917 ' CH2' HD12 ' A' ' 71' ' ' ILE . 72.2 m95 -83.59 -34.25 25.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 52.6 mmtt -53.77 -48.38 69.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.579 HG13 ' HD3' ' A' ' 30' ' ' LYS . 17.2 m -54.52 -31.86 23.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.137 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.18 39.62 1.79 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.425 ' NE2' HD13 ' A' ' 44' ' ' ILE . 10.1 m-70 -99.42 89.45 4.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 110.833 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -75.71 133.04 40.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.917 HD12 ' CH2' ' A' ' 65' ' ' TRP . 39.9 mt -117.48 103.32 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 27.8 mmm-85 -52.24 -65.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 42.4 m-70 -124.09 86.71 53.88 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.594 0.712 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.588 ' HA ' HG23 ' A' ' 78' ' ' VAL . 53.9 Cg_endo -69.74 -9.5 26.26 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.734 2.289 . . . . 0.0 112.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.523 ' HA ' ' CG ' ' A' ' 81' ' ' PHE . 5.4 p-10 -70.27 -38.32 75.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.418 HG13 ' OD2' ' A' ' 75' ' ' ASP . 21.5 m -112.2 -30.94 2.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.56 -45.32 62.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.701 HG12 HG12 ' A' ' 18' ' ' VAL . 39.1 t -93.29 107.08 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.454 ' O ' HG12 ' A' ' 18' ' ' VAL . 33.2 t0 -55.9 164.49 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.97 -36.55 2.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.47 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.523 ' CG ' ' HA ' ' A' ' 75' ' ' ASP . 2.8 t80 -34.29 -58.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.5 p -56.68 -38.44 72.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 80' ' ' GLY . 12.0 mt-10 -65.07 -42.01 94.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 93.4 mt -51.23 160.84 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 85.3 mmt-85 -80.64 155.52 26.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 70.5 t90 -43.36 -52.79 5.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -48.02 -51.44 23.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.835 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.55 -55.16 29.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -42.34 -50.53 5.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -61.97 -43.77 98.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.537 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 14.2 ttmm -54.67 -53.2 57.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.44 HG22 ' HE1' ' A' ' 61' ' ' PHE . 97.2 t -55.85 -57.7 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -39.89 -60.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -50.67 -39.66 51.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.533 HG21 ' NE1' ' A' ' 65' ' ' TRP . 32.2 m -69.45 -35.75 75.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.19 -48.72 64.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.505 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 6.9 pt-20 -57.31 -36.66 71.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . -79.99 12.4 2.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -76.33 71.47 2.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 69.61 102.0 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.497 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 74.0 m -105.5 174.13 6.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 104' ' ' SER . . . 95.75 -156.79 21.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 104' ' ' SER . 54.0 Cg_endo -69.81 11.4 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 102' ' ' GLY . 90.1 p -43.18 167.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 14.6 m -41.25 124.57 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.8 p -108.28 129.11 55.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.878 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -140.9 124.95 17.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.6 128.56 9.31 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.5 m -62.09 110.57 1.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.851 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.5 t -118.12 122.11 42.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.55 105.62 0.21 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.517 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 tpt -100.1 163.55 12.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.43 165.05 12.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -147.21 135.76 21.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.6 m -87.72 82.47 7.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -165.55 107.74 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.1 42.52 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -89.07 172.89 8.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.6 mt -101.88 -45.97 5.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.557 ' HB2' HG22 ' A' ' 78' ' ' VAL . 63.6 m-85 -115.07 169.04 9.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.449 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 38.5 ttp180 -159.53 111.6 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.797 HG12 ' O ' ' A' ' 79' ' ' ASP . 12.9 p -104.07 141.73 19.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.09 153.79 2.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.9 m-85 -71.48 104.18 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.53 141.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.08 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.4 tptp -88.69 -38.57 14.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 25' ' ' ARG . 15.9 m -131.09 171.37 13.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -105.35 48.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.432 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 25' ' ' ARG . 3.3 mpt_? -108.03 -51.81 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.799 0.333 . . . . 0.0 110.854 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.457 ' C ' ' O ' ' A' ' 25' ' ' ARG . . . -33.62 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -115.75 163.3 16.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 42.8 t -101.04 136.34 41.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 20.1 mmtp -99.34 31.92 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.405 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 7.4 tptp -132.71 -54.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.9 p -109.32 14.36 23.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.0 m 43.83 55.01 5.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.3 mt-10 -125.44 170.43 11.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.5 m -94.94 126.14 40.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mt -75.23 127.16 86.96 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.661 0.744 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 166.43 27.61 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -83.88 155.9 22.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t70 50.71 40.36 24.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.6 p -117.11 143.1 46.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.1 tp -71.18 112.75 7.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -134.24 162.51 31.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.427 ' SD ' HG11 ' A' ' 78' ' ' VAL . 1.4 mmt -114.54 167.84 10.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.07 148.31 52.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.068 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.622 HD13 ' CD2' ' A' ' 69' ' ' HIS . 66.0 mt -131.0 138.7 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.5 mmt -96.01 94.11 7.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.511 HG13 HG22 ' A' ' 44' ' ' ILE . 29.6 m -113.46 165.77 8.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.14 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -91.78 143.32 26.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.6 t -95.34 133.87 25.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.645 0.736 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 3.79 2.58 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 50.5 mmm -100.39 -47.62 4.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -124.26 172.01 9.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -90.6 44.14 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.6 -161.07 10.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.459 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -132.5 142.33 49.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.35 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.0 m -124.65 138.52 31.37 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.623 0.725 . . . . 0.0 111.112 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 123.13 9.81 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.683 2.255 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.405 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 14.4 m170 -108.4 116.45 31.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.845 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.653 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 57.9 m95 -91.45 127.97 37.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 72.2 m-85 -125.92 141.57 51.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' PHE . 17.3 m80 -55.54 140.29 41.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.874 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 32.2 t80 -35.76 -35.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' HIS . 45.3 m -90.83 -57.11 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 90.8 m -45.15 -49.8 11.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 67' ' ' VAL . 82.9 t80 -41.45 -36.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 67.9 m95 -84.31 -35.33 23.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -52.58 -50.18 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.93 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG22 ' O ' ' A' ' 64' ' ' PHE . 20.8 m -52.71 -34.68 20.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.452 ' O ' ' C ' ' A' ' 69' ' ' HIS . . . 128.07 -40.62 1.7 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.622 ' CD2' HD13 ' A' ' 44' ' ' ILE . 78.3 m-70 -33.37 104.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.779 0.324 . . . . 0.0 110.825 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -103.1 160.38 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.729 HD13 ' CG2' ' A' ' 78' ' ' VAL . 81.0 mt -140.86 125.85 18.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.149 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -80.26 -54.91 5.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -126.66 85.99 59.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.626 0.727 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -20.23 34.98 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.635 2.224 . . . . 0.0 112.386 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.576 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 14.0 t0 -50.89 -43.47 59.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 77' ' ' GLU . 35.0 m -104.38 -41.27 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.094 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' N ' HG23 ' A' ' 76' ' ' VAL . 46.6 mt-10 -63.04 -59.0 5.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.729 ' CG2' HD13 ' A' ' 71' ' ' ILE . 61.2 t -79.16 130.26 36.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.797 ' O ' HG12 ' A' ' 18' ' ' VAL . 25.3 t0 -79.21 166.71 21.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.495 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 80.67 -35.79 2.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.499 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 54.6 t80 -35.33 -48.48 0.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 0.0 110.855 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 55.6 p -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.824 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 80' ' ' GLY . 42.7 mt-10 -66.2 -40.01 90.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 99.5 mt -53.5 167.75 0.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -86.65 151.91 23.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -41.05 -53.4 3.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -46.67 -60.35 2.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.848 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.65 -47.77 76.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -46.29 -44.97 17.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -67.32 -45.46 76.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -53.68 -57.33 11.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 89.3 t -53.5 -47.24 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -56.2 -48.55 76.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 83.8 mttt -63.27 -56.67 14.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 91.8 m -51.42 -57.12 9.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -47.79 -46.89 30.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -54.23 -44.94 72.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.59 -42.97 70.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 76.91 -57.85 3.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.46 97.43 1.55 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 102' ' ' GLY . 51.1 p -38.68 123.75 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 0.0 110.847 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 101' ' ' SER . . . -38.12 108.76 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.507 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 151.17 69.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 74.7 m -155.43 157.29 36.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.2 m -47.46 110.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.509 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 p -161.8 150.73 15.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.897 0.38 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -65.35 -54.63 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.0 -171.92 34.49 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.3 p -171.63 151.43 2.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -135.75 175.26 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.95 114.3 0.54 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 60.1 mmm -115.19 167.66 10.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.757 0.313 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -50.84 152.71 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.055 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -120.79 148.4 44.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.0 m -92.89 -46.33 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.5 m -156.06 125.43 6.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -84.42 46.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.1 mttp -53.08 145.66 12.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -55.78 -46.73 77.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -109.92 155.54 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -149.0 108.07 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -107.5 134.99 47.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -164.54 173.88 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -82.03 111.76 18.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.589 ' HB2' ' HD3' ' A' ' 41' ' ' ARG . . . -42.61 131.37 3.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.071 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -82.31 -40.08 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -143.92 161.51 38.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.48 47.16 3.8 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.443 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 mtm180 -100.43 -45.42 5.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 154.28 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.3 p -125.16 173.29 8.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.6 t -112.16 140.7 46.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 32.8 mmtm -106.0 33.53 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HD3' HG13 ' A' ' 67' ' ' VAL . 15.8 tptt -133.99 -45.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 27.9 p -110.53 -13.93 14.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.947 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 t 68.71 49.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -125.5 175.25 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.8 m -100.23 119.92 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.444 HD13 ' HD2' ' A' ' 41' ' ' ARG . 93.5 mt -65.67 124.68 88.05 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 147.42 62.47 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.723 2.282 . . . . 0.0 112.295 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -67.68 154.29 41.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 22.3 t70 57.45 42.55 24.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.3 p -126.63 156.13 41.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.0 tp -85.4 106.29 16.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.589 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 25.9 ptt180 -122.73 159.05 28.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -111.27 162.99 14.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.437 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -132.5 152.16 51.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.104 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.638 HG22 HG13 ' A' ' 46' ' ' VAL . 68.5 mt -138.54 128.75 33.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.9 mmt -83.9 93.34 8.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.659 HG21 ' CE1' ' A' ' 57' ' ' HIS . 17.2 m -114.09 167.28 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.134 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -99.62 150.22 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.7 t -122.3 145.58 44.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.673 0.749 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -43.67 2.52 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.664 2.242 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mmt -78.61 -41.4 31.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 53' ' ' GLY . 2.8 t80 -74.06 -1.88 21.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 51' ' ' PHE . 0.3 OUTLIER 34.83 32.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.853 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 51' ' ' PHE . . . -160.92 -155.18 7.7 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -107.04 139.75 40.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.584 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.3 m -135.79 140.25 33.06 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.589 0.709 . . . . 0.0 111.138 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 110.04 2.45 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.369 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.659 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.2 m170 -94.67 114.03 25.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.824 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 80.8 m95 -86.59 142.15 28.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 66.0 m-85 -140.79 141.63 34.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.93 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -60.13 147.55 39.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.801 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 44.9 t80 -42.57 -35.13 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.0 m -90.31 -53.65 4.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.865 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 66' ' ' LYS . 91.3 m -47.72 -53.99 13.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.457 ' CE1' HD11 ' A' ' 44' ' ' ILE . 84.0 t80 -40.29 -33.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.567 ' CD1' HG21 ' A' ' 95' ' ' THR . 49.1 m95 -87.71 -31.79 19.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 63' ' ' CYS . 42.9 mmtt -51.69 -52.14 50.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.565 HG13 ' HD3' ' A' ' 30' ' ' LYS . 6.4 m -53.28 -45.63 56.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 120.55 47.22 0.33 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.475 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.406 ' CD2' HD13 ' A' ' 44' ' ' ILE . 34.0 m-70 -107.77 49.25 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.441 ' C ' HG13 ' A' ' 71' ' ' ILE . 3.1 m -49.18 163.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.61 HD13 ' CG2' ' A' ' 78' ' ' VAL . 65.0 mt -147.58 131.59 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.436 ' NH2' ' HB3' ' A' ' 70' ' ' SER . 0.0 OUTLIER -77.08 -59.09 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.547 ' H ' ' CD2' ' A' ' 73' ' ' HIS . 0.0 OUTLIER -125.51 85.39 58.78 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.585 0.707 . . . . 0.0 110.852 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.337 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.556 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 18.8 t0 -67.26 -31.94 72.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 77' ' ' GLU . 27.2 m -113.43 -43.7 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 76' ' ' VAL . 25.8 mt-10 -63.4 -47.62 81.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.61 ' CG2' HD13 ' A' ' 71' ' ' ILE . 53.0 t -92.02 136.09 25.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.171 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -84.94 166.84 16.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 81.12 -37.3 2.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.556 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 51.8 t80 -34.83 -53.44 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -56.87 -44.4 82.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 80' ' ' GLY . 11.5 mm-40 -62.18 -37.62 85.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 98.6 mt -56.71 159.63 3.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -75.86 161.29 29.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -48.68 -52.93 20.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -47.87 -63.13 1.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 89' ' ' GLN . 4.6 m-20 -51.72 -61.8 2.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 88' ' ' ASP . 75.0 mt-30 -35.35 -48.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 30.1 mm100 -66.58 -53.29 36.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.54 ' HD3' ' CZ ' ' A' ' 61' ' ' PHE . 7.6 ttmm -47.25 -63.14 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.951 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 91' ' ' LYS . 90.1 t -35.58 -54.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.181 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -52.3 -53.24 46.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -43.07 -53.93 4.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.567 HG21 ' CD1' ' A' ' 65' ' ' TRP . 30.1 m -63.56 -47.43 81.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.84 -48.72 59.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -60.15 -44.63 94.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.17 -43.17 99.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 57.07 82.51 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -50.85 99.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.7 m -95.03 99.06 11.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.896 0.379 . . . . 0.0 110.864 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -97.06 167.69 24.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.517 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -8.2 23.01 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.256 . . . . 0.0 112.308 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 88.2 p -62.22 129.34 40.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.814 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -139.13 127.52 22.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.5 p -158.33 177.74 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.374 . . . . 0.0 110.872 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 m -142.72 176.9 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.838 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.44 91.44 0.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.487 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.9 t -91.02 88.9 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.845 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 m -134.94 146.99 49.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.44 49.45 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.522 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.4 ptp -84.81 156.45 21.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.99 132.11 53.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.28 45.04 0.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.7 t 48.45 41.92 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -148.47 129.76 14.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -109.62 49.24 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 mttp -81.93 167.9 18.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mt -97.59 -48.67 5.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -111.2 167.08 10.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -157.69 108.17 2.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.761 HG12 HG12 ' A' ' 78' ' ' VAL . 13.6 p -101.66 140.76 19.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -172.45 171.11 4.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -79.87 112.22 16.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.06 125.48 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -70.38 -50.76 35.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.1 m -137.64 171.56 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.827 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.85 69.66 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.457 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.6 mtm180 -125.9 -45.99 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.631 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . . . -55.63 143.85 28.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.438 ' O ' HD11 ' A' ' 35' ' ' ILE . 4.4 m -111.58 178.9 4.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 44.1 t -117.35 130.05 56.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 41.0 mmtt -95.28 37.35 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.485 ' HD3' ' CG1' ' A' ' 67' ' ' VAL . 12.4 tptt -134.99 -49.26 0.74 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.8 p -106.27 -18.16 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.5 t 73.62 48.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -124.25 175.59 6.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 92.6 p -96.98 109.21 22.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.438 HD11 ' O ' ' A' ' 27' ' ' SER . 76.0 mt -54.85 120.91 31.57 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.16 68.77 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 ttpm? -76.74 151.07 36.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.7 t70 63.43 39.25 9.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.5 p -124.97 160.93 27.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.0 tp -86.82 104.2 15.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.631 ' NH1' ' HB3' ' A' ' 26' ' ' ALA . 22.8 ptt180 -122.64 160.19 26.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.643 ' CE ' ' CE2' ' A' ' 64' ' ' PHE . 1.2 mmt -113.05 169.91 8.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.85 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -134.56 148.85 50.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.064 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.644 HG22 HG13 ' A' ' 46' ' ' VAL . 83.8 mt -134.7 127.5 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 2.7 mmt -88.8 101.94 14.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.685 HG21 ' CE1' ' A' ' 57' ' ' HIS . 31.2 m -122.61 169.68 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.431 ' OE1' ' C ' ' A' ' 47' ' ' GLN . 10.4 tm0? -98.18 108.01 20.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.44 ' HB2' ' CG2' ' A' ' 55' ' ' VAL . 5.9 t -78.98 133.58 61.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.829 -179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -16.74 37.57 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 23.0 mtm -90.72 -45.87 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -78.35 166.01 23.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -97.32 41.15 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.02 -134.88 2.76 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -111.04 147.21 35.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.853 0.359 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.524 HG23 ' CD2' ' A' ' 57' ' ' HIS . 33.2 m -127.63 135.18 27.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.587 0.708 . . . . 0.0 111.144 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 117.73 5.26 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.703 2.269 . . . . 0.0 112.329 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.685 ' CE1' HG21 ' A' ' 46' ' ' VAL . 24.4 m170 -99.33 114.05 26.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.496 ' CE3' ' NE ' ' A' ' 41' ' ' ARG . 94.7 m95 -86.34 123.7 31.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.541 ' CE2' HD12 ' A' ' 44' ' ' ILE . 58.5 m-85 -125.81 132.98 52.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.2 m80 -50.04 166.0 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.523 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 26.3 t80 -56.55 -40.93 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 30.8 m -86.84 -45.97 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 85.7 m -55.64 -45.16 77.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.916 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.643 ' CE2' ' CE ' ' A' ' 42' ' ' MET . 74.6 t80 -47.32 -31.76 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.523 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 61.4 m95 -91.61 -31.87 15.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -58.4 -52.05 67.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.485 ' CG1' ' HD3' ' A' ' 30' ' ' LYS . 24.2 m -40.56 -32.99 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.15 44.1 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -116.29 113.68 23.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 110.838 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.9 m -96.12 160.7 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.822 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.512 HG23 ' OE1' ' A' ' 77' ' ' GLU . 86.1 mt -147.12 127.49 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.542 ' HB3' ' CD2' ' A' ' 73' ' ' HIS . 17.6 mmt180 -78.86 -57.37 3.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.542 ' CD2' ' HB3' ' A' ' 72' ' ' ARG . 9.4 m-70 -125.07 89.62 52.33 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.553 0.692 . . . . 0.0 110.858 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -9.95 27.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.332 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 39.5 t0 -64.91 -38.56 91.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.6 m -107.74 -38.08 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.512 ' OE1' HG23 ' A' ' 71' ' ' ILE . 17.5 mt-10 -64.43 -52.67 56.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.761 HG12 HG12 ' A' ' 18' ' ' VAL . 67.9 t -85.29 117.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' VAL . 43.8 t0 -75.97 134.88 40.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 104.38 -36.36 4.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.487 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 49.9 t80 -38.99 -47.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.371 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 40.5 t -57.76 -38.57 75.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -64.61 -42.07 95.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 90.7 mt -45.38 155.4 0.14 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -63.24 167.44 5.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -60.43 -48.19 82.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.7 -62.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.18 -54.28 8.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.824 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -40.68 -47.85 2.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 93' ' ' LYS . 15.3 mt-30 -58.62 -40.19 82.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 94' ' ' LYS . 17.3 ttmm -54.44 -51.61 64.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 77.3 t -63.53 -39.99 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.122 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HB2' ' O ' ' A' ' 90' ' ' GLN . 19.6 mmmt -45.36 -66.89 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.42 ' CE ' ' HA ' ' A' ' 91' ' ' LYS . 10.6 pttt -64.39 -55.61 19.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.4 m -40.83 -42.58 1.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.16 85.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -62.89 -44.14 96.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.19 -44.18 87.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.29 40.91 8.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.57 129.58 5.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.492 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 t -65.84 95.47 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.904 0.383 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.87 -155.5 21.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.17 69.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 70.2 p -56.9 115.68 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.0 m -109.24 98.34 7.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -154.73 131.71 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.7 p -174.61 128.1 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.75 66.77 0.52 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.535 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -60.87 170.23 1.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.872 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 m -91.13 156.94 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.78 166.05 12.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 33.7 mtt -46.3 147.45 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.24 128.51 24.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.05 145.01 37.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.7 m -65.69 102.48 0.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m -159.07 161.22 36.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.65 41.67 3.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.28 163.11 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -95.09 -42.73 8.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -120.3 176.25 5.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 58.5 ttp180 -159.0 107.09 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.633 HG12 HG12 ' A' ' 78' ' ' VAL . 11.4 p -106.75 130.41 58.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -163.22 167.2 22.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 21' ' ' ALA . 41.9 m-85 -73.12 109.36 6.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.937 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.51 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -33.26 143.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.11 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -90.64 -44.06 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.8 p -149.45 170.89 17.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.875 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.56 40.65 3.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 5.0 ptp180 -99.16 -33.29 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.802 0.334 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.438 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -60.83 145.37 50.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.5 p -115.89 154.24 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.852 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.0 t -101.08 127.62 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 31.7 mmtm -90.21 17.44 7.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD3' HG13 ' A' ' 67' ' ' VAL . 13.5 tptp -114.84 -53.36 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 32.0 p -106.54 1.84 25.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.4 t 52.57 49.49 20.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -123.45 171.72 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.4 m -97.19 102.21 13.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 64.2 mt -48.26 128.32 12.63 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.585 0.707 . . . . 0.0 111.14 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.33 66.86 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.73 2.287 . . . . 0.0 112.31 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.9 tttt -71.28 145.32 49.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.33 50.79 3.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.51 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 48.7 p -135.86 144.74 45.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.9 tp -67.61 116.08 7.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.0 ptt180 -135.52 167.31 21.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.418 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 34.1 mtp -119.67 167.99 11.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.67 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.24 148.29 46.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.698 HG22 HG13 ' A' ' 46' ' ' VAL . 77.4 mt -131.89 123.97 52.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -81.09 93.94 6.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 44' ' ' ILE . 27.5 m -115.98 177.6 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -96.29 135.88 37.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.455 ' HB2' HG13 ' A' ' 55' ' ' VAL . 8.6 t -82.93 129.2 62.55 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.672 0.748 . . . . 0.0 110.878 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.97 13.09 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.703 2.269 . . . . 0.0 112.324 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.5 mmm -91.59 -50.89 5.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.836 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -123.6 165.43 17.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -77.89 45.44 0.52 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -130.0 -162.98 10.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -125.72 152.75 44.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.455 HG13 ' HB2' ' A' ' 48' ' ' SER . 27.0 m -138.57 135.52 18.09 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.601 0.715 . . . . 0.0 111.123 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 111.72 2.89 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.619 ' CE1' HG21 ' A' ' 46' ' ' VAL . 20.2 m170 -90.26 112.69 24.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.67 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 87.9 m95 -86.3 128.21 34.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.907 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 57' ' ' HIS . 67.8 m-85 -131.29 135.38 47.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.5 m80 -52.94 149.8 6.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.592 ' HE1' HG22 ' A' ' 92' ' ' VAL . 22.9 t80 -43.43 -35.24 1.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -91.34 -55.91 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 64.2 m -40.18 -43.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.603 ' CZ ' HD11 ' A' ' 71' ' ' ILE . 18.3 t80 -52.58 -40.79 63.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.513 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.5 m95 -85.07 15.49 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.2 mmtm -106.4 -43.06 4.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.528 HG13 ' HD3' ' A' ' 30' ' ' LYS . 15.4 m -59.67 -30.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.15 42.95 1.33 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.413 ' CD2' HD13 ' A' ' 44' ' ' ILE . 9.1 m-70 -103.55 96.15 6.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.808 0.337 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 76.0 p -74.3 152.18 39.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.603 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 84.7 mt -146.22 121.45 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -74.17 -69.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -118.74 93.5 46.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.547 0.689 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -12.45 32.9 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.346 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.512 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 7.1 p-10 -65.27 -41.06 94.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.827 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.48 -38.41 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -64.05 -55.61 20.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.633 HG12 HG12 ' A' ' 18' ' ' VAL . 67.1 t -83.89 104.85 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -61.99 142.1 57.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 99.6 -41.47 2.18 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.612 ' HA ' HD12 ' A' ' 84' ' ' LEU . 12.9 t80 -38.15 -46.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 42.7 t -53.1 -42.47 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -61.19 -42.22 98.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.864 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.612 HD12 ' HA ' ' A' ' 81' ' ' PHE . 60.3 mt -46.74 142.59 3.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 mmt180 -60.89 163.9 5.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -49.79 -49.74 47.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -52.2 -60.96 2.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 89' ' ' GLN . 5.2 m-20 -52.76 -60.21 3.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 88' ' ' ASP . 89.0 mt-30 -35.88 -45.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -67.42 -51.95 45.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 27.1 ttmt -44.29 -52.02 7.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.592 HG22 ' HE1' ' A' ' 61' ' ' PHE . 97.1 t -61.29 -55.64 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.102 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -47.25 -53.86 12.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -51.7 -55.15 21.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 28.8 m -55.41 -53.76 52.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.162 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.04 -50.01 49.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.122 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -53.43 -46.36 69.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.845 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.54 -44.13 89.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.61 -65.49 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.55 76.11 0.2 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 42.6 t -171.79 120.82 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.92 0.39 . . . . 0.0 110.859 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 103' ' ' PRO . . . -124.02 95.27 0.5 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 104' ' ' SER . 53.9 Cg_endo -69.79 159.53 53.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.374 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 103' ' ' PRO . 3.2 t 35.86 41.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.3 p -100.58 155.83 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.453 -179.946 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -168.27 142.21 3.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.875 0.369 . . . . 0.0 110.829 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 p -161.32 176.16 11.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.39 97.44 0.63 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.4 t -145.58 120.88 10.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -83.59 177.18 8.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -170.06 143.72 8.03 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.455 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.9 mmm -107.32 122.22 46.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.803 0.335 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.99 85.12 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.82 97.38 7.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.7 m 44.91 42.38 6.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.7 p -148.8 128.87 13.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -126.97 42.23 3.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -68.4 171.56 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -104.3 -40.52 6.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.52 ' HB2' HG22 ' A' ' 78' ' ' VAL . 47.5 m-85 -102.47 154.53 19.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -153.51 112.54 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 41' ' ' ARG . 3.6 p -112.16 133.75 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -163.87 168.88 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.0 m-85 -76.33 109.44 10.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -36.56 140.92 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.131 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.0 mtmm -88.23 -46.43 9.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 36.2 m -141.5 144.73 34.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -71.3 72.54 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.514 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -125.42 -47.49 1.72 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.27 164.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.081 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.6 p -138.47 169.83 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.413 ' SG ' ' N ' ' A' ' 29' ' ' LYS . 14.3 t -110.85 159.45 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.852 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' SG ' ' A' ' 28' ' ' CYS . 12.8 mmtp -110.63 -37.08 5.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.521 ' HD2' HG13 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -51.78 -37.75 52.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 29.0 p -118.02 -19.69 9.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 t 69.77 47.96 0.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -123.87 -176.14 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -98.55 134.57 41.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.1 mt -85.26 129.26 56.36 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.636 0.731 . . . . 0.0 111.134 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 159.23 54.16 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.7 2.266 . . . . 0.0 112.344 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -82.49 149.59 27.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 25.4 t0 57.04 44.5 22.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 23.6 p -127.21 155.98 42.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 tp -76.91 116.65 17.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.785 ' O ' HG23 ' A' ' 18' ' ' VAL . 16.0 ptt180 -133.9 169.25 17.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 45.1 mtp -126.07 162.53 25.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -130.57 148.83 52.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.661 HG22 HG13 ' A' ' 46' ' ' VAL . 87.2 mt -136.21 128.0 44.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 6.3 mmt -87.97 98.28 11.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.661 HG13 HG22 ' A' ' 44' ' ' ILE . 31.6 m -116.75 174.36 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.145 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -93.53 157.78 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -111.66 128.19 25.78 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.66 0.743 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 0.21 5.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.334 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -95.48 -44.59 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -130.42 173.06 11.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.867 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.12 45.93 1.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.8 -165.95 10.99 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.6 mttt -125.95 159.71 31.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.656 HG23 ' CD2' ' A' ' 57' ' ' HIS . 27.8 m -138.97 137.13 19.01 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.604 0.716 . . . . 0.0 111.113 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.699 2.266 . . . . 0.0 112.38 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.656 ' CD2' HG23 ' A' ' 55' ' ' VAL . 23.6 m170 -95.81 117.52 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 88.0 m95 -90.5 130.03 36.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CD2' HD12 ' A' ' 44' ' ' ILE . 79.4 m-85 -129.57 137.11 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.472 ' O ' ' C ' ' A' ' 61' ' ' PHE . 45.7 m80 -58.57 139.52 55.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.527 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 35.3 t80 -32.4 -40.37 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 60' ' ' HIS . 86.5 p -84.85 -52.15 6.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 10.4 m -44.0 -42.14 5.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.556 ' CZ ' HD11 ' A' ' 71' ' ' ILE . 7.5 t80 -54.93 -36.17 64.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.527 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.6 m95 -88.84 10.32 21.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' SER . 46.8 mmtt -100.05 -44.97 5.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.521 HG13 ' HD2' ' A' ' 30' ' ' LYS . 6.9 m -55.02 -45.91 76.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 116.18 43.79 0.64 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.636 ' NE2' HD13 ' A' ' 44' ' ' ILE . 14.8 m-70 -85.1 151.97 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.847 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.7 m -117.2 119.8 36.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.556 HD11 ' CZ ' ' A' ' 64' ' ' PHE . 76.6 mt -127.35 110.06 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 39.5 mtt-85 -71.2 -73.47 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.96 94.26 28.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.726 . . . . 0.0 110.818 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -4.75 14.65 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.336 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.571 ' HA ' ' CD1' ' A' ' 81' ' ' PHE . 20.5 t0 -75.8 -36.57 59.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.39 -35.03 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -69.68 -46.91 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG22 ' HB2' ' A' ' 16' ' ' TYR . 93.6 t -95.47 132.76 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.14 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -81.14 160.43 24.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 79.15 -41.87 2.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CD1' ' HA ' ' A' ' 75' ' ' ASP . 30.4 t80 -34.36 -55.92 0.52 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.357 . . . . 0.0 110.883 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 25.9 t -60.17 -41.62 93.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 80' ' ' GLY . 45.2 mt-10 -61.71 -41.41 97.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 81' ' ' PHE . 89.1 mt -46.74 163.55 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' HD2' ' N ' ' A' ' 85' ' ' ARG . 2.0 mpt_? -78.34 157.05 29.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.515 ' CE3' ' N ' ' A' ' 87' ' ' ASP . 20.6 t90 -39.13 -58.88 1.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.515 ' N ' ' CE3' ' A' ' 86' ' ' TRP . 36.0 t70 -41.9 -62.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.12 -54.49 44.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -44.86 -46.08 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.964 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mm-40 -72.85 -42.71 63.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.13 -62.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -42.73 -48.83 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -49.32 -66.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt -39.56 -63.18 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.5 HG21 ' NE1' ' A' ' 65' ' ' TRP . 65.3 m -49.89 -53.15 27.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.197 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -50.22 -54.01 24.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -51.62 -50.44 60.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -51.57 -42.88 62.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.08 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 40.19 72.63 0.22 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.458 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -39.86 140.67 0.83 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.478 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 45.7 p -96.99 115.79 28.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.922 0.391 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -157.3 126.89 1.82 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.79 147.89 63.7 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.687 2.258 . . . . 0.0 112.302 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.8 p -149.46 120.59 7.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.799 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.1 m -96.07 128.02 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.46 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 p -103.8 91.08 3.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.884 0.373 . . . . 0.0 110.883 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.2 p -120.75 136.22 54.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.57 79.52 0.1 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m -79.31 44.79 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.869 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.3 m -116.16 109.5 17.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.74 -67.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.491 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.4 mmm -69.94 127.5 33.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.356 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -44.55 144.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -96.57 42.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.6 m 48.07 41.7 15.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -141.51 112.74 7.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.847 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.43 41.36 3.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 79' ' ' ASP . 38.4 mmtm -80.86 125.44 30.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -54.52 -43.31 71.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -123.23 163.44 20.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -152.59 108.94 3.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 78' ' ' VAL . 14.9 p -101.82 120.41 51.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -149.46 173.09 13.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.59 111.38 19.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.03 114.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.9 -45.12 94.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.8 t -138.63 161.17 37.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.66 44.12 3.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.4 mtp85 -111.7 38.87 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -123.1 161.27 24.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 77.6 p -128.25 129.46 46.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 50.4 t -77.45 132.84 38.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -95.66 35.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' HB3' ' SG ' ' A' ' 28' ' ' CYS . 14.3 tptt -135.05 -52.91 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.9 p -100.82 -13.11 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.9 t 67.91 46.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -126.07 173.84 8.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 55.6 p -93.14 104.72 16.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 54.3 mt -52.48 130.24 44.19 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.582 0.706 . . . . 0.0 111.155 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 154.46 67.66 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.681 2.254 . . . . 0.0 112.328 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 38' ' ' ASP . 36.1 ttpt -77.88 160.58 28.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' CG ' ' O ' ' A' ' 37' ' ' LYS . 6.7 p-10 46.15 42.35 9.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.6 p -123.61 152.28 42.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.821 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.8 tp -75.05 109.97 8.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.548 ' NE ' ' CE3' ' A' ' 58' ' ' TRP . 21.3 ptt180 -128.89 164.09 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.533 ' HB3' ' CD2' ' A' ' 64' ' ' PHE . 0.9 OUTLIER -113.61 168.63 9.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.554 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -137.63 149.75 46.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.848 HD12 ' CE2' ' A' ' 59' ' ' TYR . 41.9 mt -138.82 122.06 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.8 mmt -80.41 101.5 9.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.588 HG13 HG22 ' A' ' 44' ' ' ILE . 24.8 m -119.95 170.78 9.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.177 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -98.48 118.1 34.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.1 t -75.6 128.19 84.39 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.645 0.736 . . . . 0.0 110.848 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -33.73 15.93 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.685 2.257 . . . . 0.0 112.36 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.2 mtp -83.54 -43.93 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -75.01 172.55 12.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -103.48 41.47 1.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.61 -154.16 14.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.2 mttt -101.2 154.32 18.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 57' ' ' HIS . 28.7 m -136.57 137.78 24.82 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.616 0.722 . . . . 0.0 111.116 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 113.45 3.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.715 2.276 . . . . 0.0 112.288 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.556 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 17.6 m170 -95.63 111.71 23.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 93.1 m95 -86.46 133.72 33.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.848 ' CE2' HD12 ' A' ' 44' ' ' ILE . 97.3 m-85 -131.66 150.39 52.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 63' ' ' CYS . 22.3 m80 -68.45 158.45 33.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.855 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 13.7 t80 -46.25 -39.9 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 81.8 p -89.7 -50.3 6.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 60' ' ' HIS . 69.7 m -46.0 -50.07 15.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.533 ' CD2' ' HB3' ' A' ' 42' ' ' MET . 55.3 t80 -48.58 -34.12 10.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.591 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 52.2 m95 -85.43 -32.47 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.5 mttm -54.42 -52.19 62.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.501 HG21 ' HD2' ' A' ' 69' ' ' HIS . 25.1 m -48.4 -42.47 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 115.8 45.73 0.59 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.521 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.501 ' HD2' HG21 ' A' ' 67' ' ' VAL . 23.2 m-70 -106.63 94.55 5.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.837 0.351 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.6 m -82.24 151.77 26.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.712 HG23 ' OE1' ' A' ' 77' ' ' GLU . 90.5 mt -145.64 118.1 2.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.1 mmt85 -70.47 -58.81 3.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -117.67 86.86 24.67 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -3.25 11.65 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.567 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 7.3 p-10 -73.96 -42.65 60.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.36 -32.02 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 71' ' ' ILE . 39.4 mt-10 -70.46 -56.56 6.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.715 HG12 HG12 ' A' ' 18' ' ' VAL . 82.4 t -81.37 114.03 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' A' ' 14' ' ' LYS . 22.0 t0 -68.62 111.25 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 135.43 -37.74 1.88 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.502 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 59.5 t80 -34.79 -49.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.891 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 70.7 m -63.34 -40.81 98.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.514 ' N ' ' O ' ' A' ' 80' ' ' GLY . 39.9 mt-10 -66.0 -40.78 91.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 95.5 mt -52.04 164.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -73.88 165.48 25.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.3 t90 -58.81 -49.74 76.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -58.52 -61.78 2.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -46.12 -51.61 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 67.2 mt-30 -43.4 -43.05 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -64.22 -42.07 96.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -53.8 -43.78 69.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.1 t -73.01 -40.7 59.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.094 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -45.1 -57.48 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -59.4 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 31.5 m -39.21 -46.86 1.55 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.23 -50.23 67.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -55.51 -33.54 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.8 1.85 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -75.46 46.25 1.91 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.531 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -121.43 130.28 8.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.524 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.2 p -93.32 163.41 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -148.54 152.74 24.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -179.46 2.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.713 2.275 . . . . 0.0 112.319 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 105' ' ' SER . 36.0 p -83.4 42.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 104' ' ' SER . 49.0 p -37.23 151.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -160.07 140.58 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.923 0.392 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -129.31 172.59 11.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.34 -89.16 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 m 55.82 42.03 29.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.901 0.382 . . . . 0.0 110.864 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 p -131.24 165.4 23.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 165.54 20.44 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -106.21 143.86 33.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.62 97.64 11.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -97.26 117.18 30.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 59.2 p -45.07 101.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.822 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -147.21 140.06 25.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.06 12.85 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmtm -80.1 176.12 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.4 mt -114.11 -42.27 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -109.19 156.83 19.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -148.08 109.85 4.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.57 HG11 HD11 ' A' ' 84' ' ' LEU . 7.7 p -102.98 132.33 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -166.85 149.94 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' O ' ' C ' ' A' ' 21' ' ' ALA . 32.8 m-85 -62.46 106.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB3' ' H ' ' A' ' 39' ' ' SER . . . -34.58 139.57 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.073 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -95.71 -41.83 8.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.7 p -134.02 141.34 47.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -78.18 45.19 2.51 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' HG3' ' N ' ' A' ' 26' ' ' ALA . 25.7 ptt180 -102.86 -38.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.883 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' N ' ' HG3' ' A' ' 25' ' ' ARG . . . -58.99 130.93 49.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 34.0 m -99.05 179.37 4.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 50.7 t -114.07 136.68 52.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.527 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 37.5 mmtt -98.38 31.08 2.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.402 ' HD3' HG13 ' A' ' 67' ' ' VAL . 8.9 tptp -130.48 -54.9 1.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 30.3 p -100.12 -17.59 17.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 71.19 54.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -132.58 173.61 11.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 83.6 p -95.65 115.4 27.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.7 mt -67.47 130.6 93.29 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.64 0.733 . . . . 0.0 111.149 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 158.79 55.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.704 2.269 . . . . 0.0 112.312 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -78.0 156.71 29.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.4 t70 52.02 41.75 29.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.448 ' H ' ' HB3' ' A' ' 21' ' ' ALA . 30.0 p -119.61 157.15 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.3 tp -82.18 106.42 14.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 21' ' ' ALA . 37.6 ptt180 -130.81 166.89 19.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.9 mtp -121.29 160.86 23.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -131.56 151.34 51.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.517 HG22 HG13 ' A' ' 46' ' ' VAL . 59.1 mt -134.03 130.16 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 5.1 mmt -86.94 103.54 15.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.574 HG21 ' CE1' ' A' ' 57' ' ' HIS . 21.9 m -121.62 174.55 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -108.94 124.5 50.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 24.5 t -86.48 135.0 36.84 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -26.61 27.81 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.709 2.273 . . . . 0.0 112.377 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 34.6 mmt -89.88 -42.95 10.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -74.7 165.74 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -101.17 41.92 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.815 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 175.78 -155.1 18.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.527 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -99.71 153.58 18.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.854 0.359 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.585 HG23 ' CD2' ' A' ' 57' ' ' HIS . 30.3 m -133.28 136.6 27.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 112.92 3.2 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.691 2.26 . . . . 0.0 112.359 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.585 ' CD2' HG23 ' A' ' 55' ' ' VAL . 14.5 m170 -95.36 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.854 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 96.0 m95 -87.3 137.3 32.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CZ ' ' HB2' ' A' ' 29' ' ' LYS . 64.0 m-85 -140.45 136.4 32.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -58.22 144.06 42.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.3 t80 -39.07 -37.9 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 44.8 t -87.11 -52.82 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 62.6 m -45.89 -52.95 10.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 17.1 t80 -41.8 -37.64 1.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.569 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 72.1 m95 -80.66 -35.06 34.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.6 mmtt -52.82 -50.64 63.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 64' ' ' PHE . 16.3 m -54.35 -32.4 24.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.95 41.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.549 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 8.6 m-70 -101.55 87.77 3.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.6 p -75.4 148.49 39.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.514 HD12 ' CH2' ' A' ' 65' ' ' TRP . 50.6 mt -134.05 103.47 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.158 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 72' ' ' ARG . 4.0 mmt180 -51.43 -60.17 3.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 93.5 m-70 -129.26 95.03 31.75 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.611 0.719 . . . . 0.0 110.838 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.1 Cg_endo -69.77 -4.8 14.77 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.647 2.231 . . . . 0.0 112.316 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.559 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.5 t70 -78.25 -37.53 44.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.8 m -109.41 -28.87 2.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.138 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -72.41 -57.17 4.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 84.7 t -74.67 137.04 23.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.16 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -88.54 114.92 25.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 104.15 35.28 3.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.559 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 87.9 t80 -85.12 -55.72 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.928 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -50.24 -34.65 23.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.17 -44.61 97.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD11 HG11 ' A' ' 18' ' ' VAL . 82.9 mt -47.9 142.22 5.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 70.1 mtp180 -64.56 155.31 33.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -40.98 -55.97 2.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -49.19 -45.65 44.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.99 -51.46 58.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -46.55 -45.25 18.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -71.44 -43.16 67.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -57.19 -55.85 29.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.0 t -51.91 -51.9 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -51.41 -62.1 1.83 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.411 ' O ' ' HG2' ' A' ' 97' ' ' GLU . 22.0 mtpt -48.38 -44.24 34.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 32.8 m -66.42 -35.33 80.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.39 -50.51 45.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.512 ' HG3' ' N ' ' A' ' 98' ' ' ALA . 9.8 pt-20 -56.91 -38.74 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.925 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.512 ' N ' ' HG3' ' A' ' 97' ' ' GLU . . . -73.13 -44.05 60.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 43.23 38.71 3.77 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.45 -125.63 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -59.08 103.24 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.904 0.383 . . . . 0.0 110.838 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -91.01 148.97 19.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -43.66 2.51 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.26 . . . . 0.0 112.337 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.0 p -69.27 116.49 9.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.0 t -139.95 117.19 11.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.458 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 t -143.99 117.57 9.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.896 0.379 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.7 m -131.96 173.0 11.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.819 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.06 47.55 0.28 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 t -90.65 93.75 9.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.885 0.374 . . . . 0.0 110.837 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -52.65 151.4 4.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.74 71.44 1.76 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.435 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.3 ttt -76.08 139.3 41.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.08 146.78 23.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.7 pm0 -129.01 152.45 48.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -85.2 -52.86 5.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.9 m -78.9 110.72 14.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -86.31 70.85 10.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -82.1 177.72 8.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -114.09 -44.7 3.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -102.62 166.94 10.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 61.0 ttm-85 -154.89 149.72 26.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 78' ' ' VAL . 13.0 p -148.24 126.19 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -160.66 163.88 32.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.8 m-85 -74.47 106.41 6.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -33.08 137.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -80.53 -41.48 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.4 m -151.6 172.88 15.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -92.07 70.57 1.76 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 -119.12 -55.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.794 0.33 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.404 ' HB1' ' CD1' ' A' ' 58' ' ' TRP . . . -54.63 156.03 3.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.3 m -121.84 173.27 7.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.1 t -98.36 130.4 45.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.538 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 21.2 mmtp -90.99 15.01 12.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' HD3' HG13 ' A' ' 67' ' ' VAL . 6.7 tptm -113.87 -60.07 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -103.5 19.63 19.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 31' ' ' CYS . 3.7 t 38.11 54.93 1.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.854 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 17.1 mt-10 -123.01 -176.34 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 25.1 t -103.72 131.68 50.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.4 mt -81.28 120.94 79.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.711 . . . . 0.0 111.12 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 150.02 67.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.706 2.271 . . . . 0.0 112.368 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 38' ' ' ASP . 48.9 tttt -76.17 148.45 37.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.917 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' N ' ' HG2' ' A' ' 37' ' ' LYS . 1.7 t70 64.35 43.16 4.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.907 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 76.8 p -130.13 150.84 51.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.8 tp -75.97 112.05 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' O ' HG23 ' A' ' 18' ' ' VAL . 22.2 ptt180 -131.46 170.22 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mmt -124.05 173.94 7.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -146.34 146.28 30.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.732 HD11 ' CE2' ' A' ' 64' ' ' PHE . 3.8 mp -132.33 129.94 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.429 ' HA ' ' CE ' ' A' ' 45' ' ' MET . 0.1 OUTLIER -80.9 111.51 17.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG21 ' CE1' ' A' ' 57' ' ' HIS . 16.3 m -133.89 172.83 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.144 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -108.25 140.47 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.5 m -101.19 140.83 21.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.651 0.739 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -26.62 27.69 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.709 2.273 . . . . 0.0 112.326 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.6 mmt -83.54 -45.44 13.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -84.34 171.44 12.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.26 40.68 2.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.98 -160.88 13.87 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttp -101.8 145.83 28.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -129.96 139.51 35.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.604 0.716 . . . . 0.0 111.162 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 114.7 3.78 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.657 2.238 . . . . 0.0 112.372 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.475 ' CE1' HG21 ' A' ' 46' ' ' VAL . 6.7 m170 -96.16 111.63 23.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.835 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.469 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 89.3 m95 -86.13 143.59 27.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 29' ' ' LYS . 64.7 m-85 -146.12 140.76 26.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -58.61 146.44 36.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CE2' ' HD3' ' A' ' 91' ' ' LYS . 31.3 t80 -39.52 -34.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.4 p -91.36 -56.43 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 87.1 m -44.29 -41.41 5.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.732 ' CE2' HD11 ' A' ' 44' ' ' ILE . 50.3 t80 -55.0 -35.61 64.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 57.2 m95 -84.28 -33.26 24.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -55.25 -51.92 65.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.471 HG13 ' HD3' ' A' ' 30' ' ' LYS . 13.7 m -50.97 -45.66 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 67' ' ' VAL . . . 125.12 36.21 0.59 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.461 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 64' ' ' PHE . 21.9 m-70 -91.29 45.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.325 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.449 ' C ' HG13 ' A' ' 71' ' ' ILE . 24.5 m -49.08 150.09 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.485 HD13 ' CG2' ' A' ' 78' ' ' VAL . 61.5 mt -147.44 131.61 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -78.76 -59.49 2.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 13.7 m170 -121.23 85.3 41.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.594 0.711 . . . . 0.0 110.838 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -13.43 34.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.573 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 2.3 t70 -62.39 -33.56 75.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.1 m -111.45 -39.11 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.119 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -66.55 -46.18 76.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.589 HG12 HG12 ' A' ' 18' ' ' VAL . 55.1 t -93.77 125.12 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -77.24 153.37 34.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.505 ' O ' ' N ' ' A' ' 83' ' ' GLU . . . 92.76 -37.7 3.33 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 84.4 t80 -34.34 -55.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.365 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.5 p -51.88 -41.32 61.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 80' ' ' GLY . 37.2 mt-10 -61.32 -42.62 98.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 94.9 mt -45.05 170.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -90.41 165.25 13.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -51.45 -50.24 60.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -55.64 -63.8 1.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 91' ' ' LYS . 1.8 m-20 -50.52 -56.42 11.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -40.56 -46.18 2.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -63.88 -38.63 91.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.58 ' HD3' ' CE2' ' A' ' 61' ' ' PHE . 19.9 ttmt -58.14 -53.1 62.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.859 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.95 -38.88 81.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.124 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -44.96 -67.63 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.56 -54.93 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 79.3 m -39.39 -45.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.43 64.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -48.26 -45.74 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.72 -43.62 92.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 83.19 51.78 4.04 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 63.98 127.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 69.7 m -74.47 165.42 25.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.939 0.4 . . . . 0.0 110.843 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -58.77 174.57 3.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 113.02 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.664 2.243 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.5 m -87.49 -49.87 6.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.1 m 62.3 43.2 8.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.454 -179.968 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -113.56 153.96 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 p -155.63 152.24 28.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.49 162.89 26.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.467 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 t -145.38 145.33 31.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t -121.46 158.1 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.15 -138.24 2.39 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 29.6 tpp -160.65 120.4 2.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -124.96 93.48 3.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.088 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -148.04 150.36 33.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -80.18 44.22 0.67 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.2 m -130.48 111.7 12.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -128.49 43.01 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -78.03 131.49 37.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.09 -46.18 68.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.683 ' HB2' HG22 ' A' ' 78' ' ' VAL . 41.0 m-85 -122.61 170.51 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.49 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 47.1 ttt180 -157.83 108.17 2.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.623 HG12 HG12 ' A' ' 78' ' ' VAL . 13.4 p -103.29 128.54 56.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -158.71 169.59 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 21' ' ' ALA . 28.5 m-85 -78.98 115.12 18.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' TYR . . . -34.22 117.08 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.02 -45.39 64.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.9 p -141.13 172.2 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.46 43.15 2.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.431 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -103.92 -60.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.883 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -39.1 126.73 1.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.07 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.7 p -95.52 165.04 12.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 30' ' ' LYS . 44.3 t -100.05 135.21 41.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 24.6 mmmt -99.04 32.74 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD3' HG13 ' A' ' 67' ' ' VAL . 20.8 tptt -132.66 -51.28 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 32.1 p -114.78 15.09 17.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.6 t 42.58 55.0 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.9 mt-10 -123.53 172.02 9.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.9 p -98.94 106.3 18.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 40.6 mt -51.52 119.72 13.7 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.722 . . . . 0.0 111.14 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.07 62.29 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.734 2.289 . . . . 0.0 112.334 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -70.93 150.14 46.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.4 t70 62.59 43.23 7.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 45.9 p -132.54 142.26 49.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 tp -68.14 116.3 8.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -132.9 173.33 11.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.7 mmt -126.25 168.59 13.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.658 ' HB2' ' CZ3' ' A' ' 58' ' ' TRP . . . -139.53 113.14 8.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.639 HD12 ' CD2' ' A' ' 59' ' ' TYR . 41.3 mt -97.59 130.5 46.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 79.7 mmm -92.11 100.43 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 44' ' ' ILE . 27.7 m -121.01 168.22 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.424 HE21 ' N ' ' A' ' 53' ' ' GLY . 6.2 tm0? -97.21 124.51 41.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.5 t -78.35 144.34 66.12 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.661 0.743 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -42.17 3.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.703 2.269 . . . . 0.0 112.303 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 72.1 mmm -77.81 -43.91 29.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -75.93 172.29 12.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -117.34 40.82 2.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.424 ' N ' HE21 ' A' ' 47' ' ' GLN . . . -165.74 -157.1 9.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.483 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -104.11 137.87 41.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.866 0.365 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.1 137.65 26.94 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.726 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 118.03 5.44 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.666 2.244 . . . . 0.0 112.329 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.439 ' CE1' HG21 ' A' ' 46' ' ' VAL . 21.4 m170 -105.64 111.68 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.658 ' CZ3' ' HB2' ' A' ' 43' ' ' ALA . 88.6 m95 -86.62 128.32 34.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.639 ' CD2' HD12 ' A' ' 44' ' ' ILE . 52.8 m-85 -130.41 144.19 51.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -61.64 145.02 53.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.594 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 45.8 t80 -37.91 -33.74 0.09 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 98.7 p -93.14 -51.83 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 63.5 m -46.98 -45.62 21.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.627 ' HZ ' HD11 ' A' ' 71' ' ' ILE . 56.4 t80 -51.97 -33.59 38.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 56.9 m95 -83.71 -34.82 24.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.9 mtmt -54.37 -51.4 64.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG13 ' HD3' ' A' ' 30' ' ' LYS . 3.5 m -52.9 -25.96 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.22 47.03 2.92 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.496 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.52 50.66 0.78 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.795 0.331 . . . . 0.0 110.83 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 67.3 m -46.57 163.18 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.627 HD11 ' HZ ' ' A' ' 64' ' ' PHE . 96.3 mt -145.68 125.1 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 47.4 mtm180 -64.11 -62.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.419 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 81.2 m-70 -130.01 91.4 39.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 110.835 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 73' ' ' HIS . 53.9 Cg_endo -69.73 -15.64 37.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.375 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.537 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 42.8 t0 -58.76 -44.21 90.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 m -105.74 -29.15 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -73.98 -47.15 39.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.683 HG22 ' HB2' ' A' ' 16' ' ' TYR . 87.0 t -92.94 126.4 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -78.81 130.07 35.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 117.03 -37.19 3.43 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.484 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 75' ' ' ASP . 78.7 t80 -37.76 -61.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.4 t -46.92 -42.3 17.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.813 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.0 -41.7 99.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' ' 81' ' ' PHE . 96.0 mt -49.48 153.69 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -64.91 173.35 2.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -61.77 -58.88 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -47.64 -53.44 14.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.76 -49.99 73.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -43.94 -44.8 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.0 mm-40 -68.72 -38.78 80.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 tttp -58.48 -57.72 11.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 99.2 t -57.37 -41.21 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 20.5 mtpp -52.7 -70.14 0.1 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -50.83 -55.91 14.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 88.4 m -44.03 -47.1 8.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -47.09 76.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -52.59 -45.15 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.77 -43.31 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.124 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.27 84.86 1.15 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.438 ' CA ' ' HB3' ' A' ' 65' ' ' TRP . . . 73.47 128.06 0.13 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.459 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.2 t -121.96 94.74 4.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -178.18 102.21 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 6.25 1.38 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.714 2.276 . . . . 0.0 112.339 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 40.6 t -79.49 83.67 5.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.825 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.3 t 44.05 44.44 6.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.537 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -129.7 157.45 42.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.2 m -62.79 155.2 27.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.62 47.63 2.93 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.474 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 m -89.74 105.97 18.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.869 0.366 . . . . 0.0 110.898 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.9 m -103.08 176.66 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.863 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.63 90.22 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpp -121.06 95.14 4.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 110.954 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.77 168.69 10.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -106.06 90.38 3.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t 44.22 42.11 4.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 m -99.7 81.34 2.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -112.67 80.45 1.35 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -116.37 141.59 47.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -72.72 -44.94 61.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -104.93 154.44 20.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' HB3' ' HB3' ' A' ' 43' ' ' ALA . 21.8 ttm180 -155.09 107.3 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.417 HG12 HG12 ' A' ' 78' ' ' VAL . 4.6 p -100.21 127.04 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.126 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -148.43 177.19 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.477 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 42.6 m-85 -92.57 104.06 16.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.17 130.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.069 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.7 mttt -81.57 -38.93 25.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.5 p -136.07 175.18 9.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -101.47 45.84 1.35 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 26' ' ' ALA . 67.5 mtp180 -101.22 -60.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.809 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.451 ' CB ' ' NH1' ' A' ' 41' ' ' ARG . . . -34.53 136.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.1 m -106.62 168.11 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.9 t -99.64 137.54 37.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 20.0 mmmt -100.38 32.29 3.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.676 ' HD3' HG13 ' A' ' 67' ' ' VAL . 25.4 tptt -133.67 -52.02 0.86 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.944 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 31.1 p -108.66 4.78 24.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.3 m 52.71 54.97 9.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 20.8 mt-10 -128.7 174.71 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.2 t -97.81 130.55 44.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 72.0 mt -77.47 130.06 75.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.613 0.721 . . . . 0.0 111.126 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 155.74 65.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -76.71 155.07 33.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 50.95 51.71 16.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 94.7 p -132.55 164.88 25.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.27 112.57 22.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' NH1' ' CB ' ' A' ' 26' ' ' ALA . 26.1 ptt180 -129.31 168.1 16.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.534 ' SD ' ' CG ' ' A' ' 64' ' ' PHE . 22.5 mtp -118.45 168.52 10.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 17' ' ' ARG . . . -138.46 114.83 10.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.078 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.63 HD12 ' CE2' ' A' ' 59' ' ' TYR . 70.5 mt -103.12 130.48 53.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 71.9 mmm -92.97 102.3 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.537 HG21 ' CE1' ' A' ' 57' ' ' HIS . 18.6 m -116.67 172.88 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.146 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -100.78 134.88 43.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.459 ' HB2' ' CE1' ' A' ' 51' ' ' PHE . 2.0 m -82.3 135.56 47.15 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.684 0.754 . . . . 0.0 110.835 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -14.84 36.68 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.318 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 26.5 mtm -79.02 -52.96 7.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 48' ' ' SER . 1.7 p90 -122.67 160.47 25.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.847 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -76.92 46.97 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -127.0 -159.88 10.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -135.62 162.68 32.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.875 0.369 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.509 HG23 ' CD2' ' A' ' 57' ' ' HIS . 17.1 m -147.75 139.28 13.69 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.134 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 117.01 4.83 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.719 2.279 . . . . 0.0 112.334 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.537 ' CE1' HG21 ' A' ' 46' ' ' VAL . 19.8 m170 -104.54 114.19 28.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -86.86 136.28 33.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.63 ' CE2' HD12 ' A' ' 44' ' ' ILE . 73.2 m-85 -132.62 154.97 49.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.509 ' O ' ' N ' ' A' ' 62' ' ' SER . 19.5 m80 -73.65 133.88 43.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.561 ' O ' ' CD1' ' A' ' 65' ' ' TRP . 50.6 t80 -34.0 -32.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.509 ' N ' ' O ' ' A' ' 60' ' ' HIS . 26.6 t -90.74 -54.79 3.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 58.7 m -45.28 -43.79 10.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.534 ' CG ' ' SD ' ' A' ' 42' ' ' MET . 12.0 t80 -53.35 -33.6 54.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.561 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 54.3 m95 -87.84 16.66 5.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -108.25 -45.3 3.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.94 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.676 HG13 ' HD3' ' A' ' 30' ' ' LYS . 5.9 m -58.15 -35.2 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.108 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.34 43.82 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -97.96 85.64 3.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.75 0.309 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.7 m -69.43 151.12 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.62 HD13 HG21 ' A' ' 78' ' ' VAL . 71.6 mt -144.89 116.32 2.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 72' ' ' ARG . 26.7 mtt180 -70.32 -56.35 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -127.18 92.29 44.33 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 3.21 2.94 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.328 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.572 ' HA ' ' CD2' ' A' ' 81' ' ' PHE . 0.7 OUTLIER -84.05 -41.56 17.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.0 m -108.9 -30.01 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.104 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -76.74 -42.79 39.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 71' ' ' ILE . 99.6 t -98.65 100.1 9.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.14 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -54.46 166.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.86 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' PHE . . . 79.2 -42.42 2.36 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.689 ' HA ' HD12 ' A' ' 84' ' ' LEU . 71.3 t80 -37.06 -54.81 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.903 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.8 t -51.52 -42.54 61.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 80' ' ' GLY . 22.8 mt-10 -61.35 -41.68 97.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 81' ' ' PHE . 46.6 mt -51.46 156.65 1.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.932 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -74.43 155.75 37.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -42.3 -51.45 4.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -49.66 -53.47 24.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -58.4 -49.91 75.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.554 ' HA ' ' CE1' ' A' ' 81' ' ' PHE . 61.1 mt-30 -43.39 -46.48 6.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 59.6 mm-40 -67.5 -46.4 73.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttt -51.44 -47.49 63.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.2 t -68.5 -42.5 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.1 mtpt -56.6 -57.84 10.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.3 mtpt -50.47 -62.23 1.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.8 m -51.82 -50.78 60.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -43.17 -55.93 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.98 -45.68 71.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.64 -44.1 85.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 75.42 -49.73 2.35 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.5 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -108.03 142.57 15.95 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 97.3 p -112.22 102.42 10.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 95.3 151.85 28.71 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 86.67 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.669 2.246 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.0 t -157.54 152.38 25.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.8 m -40.89 103.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_