data_2e73_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 2e73 _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 ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 35.9 m-70 -84.6 176.61 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -82.01 40.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 69.7 m-85 -50.46 137.02 19.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -162.52 130.62 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.15 127.15 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -149.87 122.55 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -51.8 139.51 21.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -123.36 88.75 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.48 -27.87 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 43.3 mt-30 -107.23 160.14 27.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 92.62 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.444 ' CG2' HG12 ' A' ' 72' ' ' VAL . 21.5 m -64.73 150.21 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 4.9 t80 -123.74 117.14 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.01 121.46 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.8 t -95.34 43.36 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -134.51 -60.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.67 -13.69 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m 71.61 47.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -132.41 171.47 13.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -87.34 158.95 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.56 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -114.81 112.95 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.13 135.11 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.62 133.3 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -85.99 27.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 25.5 t -129.61 -59.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.6 p -112.29 23.11 14.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 40.69 38.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.573 ' CE2' HG11 ' A' ' 73' ' ' VAL . 32.2 t80 -96.22 98.21 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.455 ' N ' ' OE1' ' A' ' 65' ' ' GLN . 7.1 p -96.49 128.69 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.573 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 m -140.62 143.95 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.56 ' CD2' HG12 ' A' ' 56' ' ' ILE . 67.0 m80 -40.26 161.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -54.74 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 17.6 ptt180 -71.2 -38.35 72.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 57.7 m -59.98 -33.2 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -45.81 -64.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 12.7 pt-20 -57.86 -43.44 85.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 15.3 m-85 -55.63 -39.24 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.3 t -39.18 134.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -119.64 -28.84 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -53.23 149.56 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -98.31 115.67 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.07 133.88 7.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -29.07 24.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.461 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -102.6 -48.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -75.66 171.7 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.52 81.46 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -93.58 154.34 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -147.59 111.68 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . . . -47.97 121.17 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -153.34 146.41 24.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -77.48 131.48 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.81 122.94 46.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -38.32 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -95.13 152.73 39.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.13 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -77.23 166.64 22.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 33.3 t80 -117.65 132.21 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -80.04 116.78 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.4 m -86.01 39.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.429 ' CD2' ' C ' ' A' ' 51' ' ' HIS . 4.0 t60 -134.26 -52.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.5 14.58 21.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 m 44.15 54.14 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -137.22 165.05 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.82 155.27 33.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.537 HG12 ' CD2' ' A' ' 74' ' ' HIS . 40.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 18.7 mt -123.38 120.02 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.38 145.36 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.6 t -88.13 129.23 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -86.98 26.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.46 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 37.9 t -126.68 -48.71 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.9 21.86 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m 47.94 25.05 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 73' ' ' VAL . 70.2 t80 -86.24 107.54 17.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.417 ' C ' HG11 ' A' ' 73' ' ' VAL . 4.1 p -107.94 144.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.498 HG12 ' CE2' ' A' ' 71' ' ' PHE . 17.5 m -157.11 150.6 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.537 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.8 m80 -41.88 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -60.34 -47.64 85.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -68.17 -30.8 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' HIS . 35.1 m -69.28 -39.23 78.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -33.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 11.0 pt-20 -52.54 -45.87 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -53.01 -33.42 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.6 t -41.31 136.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.7 p -115.39 -47.07 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -45.8 135.38 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -82.77 139.9 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.66 133.76 94.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.46 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -68.55 -58.97 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 16.8 m-70 -54.02 173.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -89.74 73.15 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 68.2 m-85 -81.15 145.51 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -158.65 148.68 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 126.19 23.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -148.15 119.44 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -56.12 148.66 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -144.66 106.14 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -79.46 -24.41 42.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -99.44 157.39 34.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 81.91 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 m -46.19 159.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -121.74 108.63 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.0 t -61.4 125.92 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.56 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 73.3 m -97.48 28.98 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 12.5 t60 -124.69 -46.33 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.53 -1.32 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.8 m 61.5 54.88 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -144.23 168.41 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.23 152.53 26.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.513 HG12 ' CD2' ' A' ' 74' ' ' HIS . 60.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.38 126.4 26.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -110.59 148.61 31.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.9 t -90.71 121.32 32.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -72.83 2.55 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 9.8 t -100.72 -62.36 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 p -108.8 25.22 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m 40.95 27.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 61.6 t80 -87.27 118.77 26.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 2.2 p -118.55 149.29 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.524 HG11 ' CE2' ' A' ' 71' ' ' PHE . 35.9 m -161.24 157.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.513 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.1 m80 -42.57 148.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.16 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.05 -45.68 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.9 m -50.36 -20.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.536 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.1 -67.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.42 -29.22 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 12.0 m-85 -73.79 -28.5 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.4 t -46.02 118.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -111.22 0.74 16.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -83.55 133.11 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.65 129.11 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 8.6 t -63.9 133.8 95.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.98 17.5 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -93.64 -48.37 2.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -89.98 174.15 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -80.93 42.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 59.8 m-85 -50.04 153.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -172.71 138.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 120.78 11.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -134.12 119.71 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -52.6 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -99.59 127.35 45.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -91.83 -41.36 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -88.11 155.14 52.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 79.97 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.457 ' CG2' HG13 ' A' ' 72' ' ' VAL . 16.1 m -54.5 163.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 53' ' ' THR . 14.0 t80 -120.98 130.12 53.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.9 t -78.02 119.06 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -87.25 33.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -129.16 -46.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.3 p -123.02 26.94 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 9.7 t 34.52 55.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 6.9 m-20 -136.72 158.04 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -80.63 143.64 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 74' ' ' HIS . 20.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.31 127.09 52.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -105.95 142.96 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.6 t -86.27 133.78 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -87.87 29.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.99 -64.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.4 p -107.44 22.8 15.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.38 27.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' CE2' HG13 ' A' ' 73' ' ' VAL . 64.3 t80 -82.48 102.25 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 5.6 p -101.41 146.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 21.3 m -160.96 149.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 56' ' ' ILE . 44.0 m80 -35.74 153.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -53.66 -45.2 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 22.0 ptt-85 -74.48 -44.24 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 22.7 m -49.24 -25.74 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.638 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.2 t-160 -48.21 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 10.2 pt-20 -49.24 -38.32 26.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 50.9 m-85 -62.62 -35.86 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 82' ' ' THR . 76.7 t -40.38 135.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.468 ' N ' HG12 ' A' ' 81' ' ' VAL . 71.5 p -116.22 -45.17 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -40.98 148.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -99.41 125.5 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 t -52.6 133.74 45.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.6 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 13.3 m-70 -65.01 -178.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -80.58 42.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 71.4 m-85 -51.07 147.93 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -159.47 141.51 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.96 126.03 25.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -140.39 131.63 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -72.66 114.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.2 124.91 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.64 -44.94 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.421 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 8.6 mm100 -84.18 161.58 54.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 54.0 Cg_endo -69.76 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 48' ' ' PHE . 24.1 m -55.84 147.36 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 40.5 t80 -108.6 127.25 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.405 ' C ' ' H ' ' A' ' 51' ' ' HIS . 48.8 t -78.63 113.16 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 3.6 t -79.21 39.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 49' ' ' CYS . 5.7 t60 -134.45 -47.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.68 23.88 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 64.7 p 38.92 43.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.35 155.28 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -77.32 150.61 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 74' ' ' HIS . 21.1 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.37 118.33 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -99.86 144.26 29.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 t -86.78 132.88 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.27 30.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 15.9 t -134.81 -60.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 8.0 p -110.84 24.68 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.9 m 40.1 34.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 17.8 t80 -89.69 104.56 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.418 ' C ' HG12 ' A' ' 73' ' ' VAL . 7.4 p -105.25 129.3 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.451 HG13 ' CE2' ' A' ' 71' ' ' PHE . 35.2 m -144.18 146.12 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.579 ' CD2' HG12 ' A' ' 56' ' ' ILE . 42.0 m80 -38.38 158.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.35 -47.13 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.5 m -57.3 -30.9 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.696 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.9 t-80 -44.92 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -52.68 -42.72 65.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.64 -39.79 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.7 t -39.29 113.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.5 p -97.33 -37.31 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.458 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 28.8 t80 -45.37 136.85 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -88.28 114.33 24.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 16.4 t -41.81 134.22 2.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.75 -26.31 27.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -100.75 -60.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 19.6 m-70 -61.54 179.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -97.31 52.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 63.2 m-85 -58.85 166.15 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -158.59 105.3 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.75 111.66 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -137.4 135.68 37.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -49.08 150.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.92 91.71 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.85 -27.58 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -121.17 157.7 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 53.2 Cg_endo -69.79 131.54 21.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' ILE . 1.1 m -112.11 174.0 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CZ ' ' C ' ' A' ' 53' ' ' THR . 37.7 t80 -123.02 138.5 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.9 t -83.07 112.94 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.578 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.3 m -77.38 9.26 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 56.6 t60 -106.31 -54.12 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' THR . 31.2 p -107.95 22.84 15.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' CYS . 72.0 p 33.29 54.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.93 154.22 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 46' ' ' PRO . 2.4 t80 -64.89 154.11 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.417 HD13 ' C ' ' A' ' 48' ' ' PHE . 72.5 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.444 ' C ' HD22 ' A' ' 64' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD22 ' C ' ' A' ' 63' ' ' GLY . 3.9 mm? -111.33 97.0 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -93.02 111.15 22.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.81 132.26 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.67 29.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.423 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 15.9 t -128.6 -69.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.457 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 5.1 p -97.8 5.38 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m 64.12 30.64 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 9.5 t80 -81.94 109.36 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.428 ' C ' HG13 ' A' ' 73' ' ' VAL . 9.2 p -107.98 119.4 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 71' ' ' PHE . 20.0 m -143.86 146.32 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.415 ' NE2' HG12 ' A' ' 56' ' ' ILE . 37.8 m80 -39.88 158.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 2.2 tmm_? -66.48 -31.11 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.62 -18.43 54.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' HIS . 66.2 m -92.19 -30.33 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -34.24 -63.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.2 pt-20 -56.48 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' VAL . 25.9 m-85 -42.32 -49.9 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 80' ' ' PHE . 61.3 t -32.75 143.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.8 p -129.76 -34.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -45.99 127.33 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.82 133.09 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.05 133.71 95.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.457 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.423 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -93.23 -53.79 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -76.53 177.02 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -78.65 44.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 53.4 m-85 -54.89 140.69 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 t -156.58 141.02 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.73 122.69 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -136.02 131.05 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.46 117.92 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.53 111.01 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -76.11 -34.16 59.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -103.99 161.73 22.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 90.22 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.469 ' HB ' ' CD1' ' A' ' 56' ' ' ILE . 3.5 m -59.13 147.18 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.38 136.38 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 t -90.48 118.16 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 37.2 m -84.17 25.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.474 ' CB ' HG11 ' A' ' 73' ' ' VAL . 28.2 t60 -122.05 -49.72 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' THR . 25.7 p -116.5 25.97 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 9.9 t 33.72 54.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.86 160.79 37.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -77.72 155.82 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 74' ' ' HIS . 28.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 38' ' ' PHE . 10.8 mt -120.83 120.87 36.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -90.15 137.54 32.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.3 t -85.24 130.92 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -85.54 27.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 44.8 t -129.63 -58.19 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 6.6 p -115.47 25.67 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m 44.57 25.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 73' ' ' VAL . 25.5 t80 -81.74 100.89 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -106.84 124.46 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' CE2' ' A' ' 71' ' ' PHE . 17.3 m -142.34 153.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.579 ' CD2' HG12 ' A' ' 56' ' ' ILE . 39.0 m80 -40.32 158.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -60.78 -53.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 6.6 ptm180 -58.25 -33.61 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' PHE . 56.7 m -69.12 -36.65 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -36.16 -34.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 3.8 pt-20 -88.15 -40.06 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 28.9 m-85 -61.57 -32.79 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.5 t -42.91 120.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 t -100.03 -28.5 13.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 84' ' ' GLU . 11.7 t80 -64.7 135.39 55.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 7.2 mm-40 -87.92 138.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.7 t -59.15 131.77 87.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.739 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.454 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -67.01 -54.09 23.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 30.6 m-70 -54.05 176.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -81.26 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 57.6 m-85 -50.23 129.95 22.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -142.24 117.66 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.33 125.75 24.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -146.02 162.51 37.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 122.98 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -105.76 97.82 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -58.0 -44.1 87.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -102.43 154.16 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.2 m -91.44 154.77 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE1' ' C ' ' A' ' 54' ' ' ASP . 12.3 t80 -99.8 158.62 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -98.27 112.04 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.52 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t -82.09 37.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -134.14 -52.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.6 p -115.36 28.59 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 27.9 p 34.3 54.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' C ' ' CE1' ' A' ' 48' ' ' PHE . 44.8 m-20 -136.45 165.97 24.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -87.17 141.51 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.7 mt -127.45 107.22 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 70' ' ' SER . 1.6 tp60 -90.21 117.71 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.19 135.67 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -85.69 31.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.473 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 31.9 t -134.16 -61.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.409 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 10.2 p -111.09 22.47 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.544 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 3.0 t 41.29 41.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 73' ' ' VAL . 19.2 t80 -91.33 94.54 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' HB ' ' NE2' ' A' ' 65' ' ' GLN . 9.7 p -97.02 118.55 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 71' ' ' PHE . 35.0 m -140.5 154.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' VAL . 33.6 m80 -35.69 144.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -39.24 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -37.31 58.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.2 m -59.72 -21.5 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.499 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.75 -71.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 8.4 pt-20 -42.91 -38.87 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.462 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 76.7 m-85 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 80' ' ' PHE . 93.9 t -35.71 103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -91.89 -30.52 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 34.0 t80 -49.93 142.97 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.08 119.52 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.1 t -45.39 133.99 5.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.6 Cg_endo -69.79 -41.63 4.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.473 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.35 -64.08 2.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 14.1 m-70 -57.37 174.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -78.02 44.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 53.0 m-85 -51.11 134.47 26.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -138.55 123.59 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.66 122.42 12.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -155.09 137.88 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -68.93 150.34 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.61 101.51 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -48.5 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -93.55 162.61 27.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.92 3.21 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' HG11 ' A' ' 72' ' ' VAL . 25.8 m -89.64 150.9 22.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 23.3 t80 -102.46 126.72 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -77.79 113.46 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -80.76 37.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -133.24 -48.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -119.83 24.66 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.563 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 47.1 p 37.93 47.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.18 163.45 27.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -78.54 149.99 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.587 HG12 ' CD2' ' A' ' 74' ' ' HIS . 68.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -138.73 117.74 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' OE1' ' C ' ' A' ' 70' ' ' SER . 4.6 tp-100 -94.74 143.41 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.403 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.5 t -89.22 133.63 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -84.95 32.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.6 t -135.0 -64.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.7 p -110.67 25.36 11.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.454 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 76.6 p 41.26 37.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE2' HG11 ' A' ' 73' ' ' VAL . 66.4 t80 -91.35 101.58 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 47' ' ' THR . 6.4 p -105.09 137.13 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 71' ' ' PHE . 35.1 m -153.05 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.587 ' CD2' HG12 ' A' ' 56' ' ' ILE . 36.2 m80 -35.44 153.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -57.17 -38.14 73.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -75.66 -39.79 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 35.4 m -60.55 -33.54 72.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.642 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -38.45 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 16.8 pt-20 -44.77 -45.59 10.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.432 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 35.7 m-85 -56.74 -39.78 74.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' PHE . 89.2 t -35.69 115.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -96.95 -51.02 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 33.1 t80 -43.48 145.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 6.0 mm-40 -95.18 152.36 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 11.7 t -76.88 133.86 69.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -52.24 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -57.86 -60.44 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -79.89 169.84 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -78.93 44.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 42.0 m-85 -50.28 123.72 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 t -138.49 124.43 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.41 135.53 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -152.0 147.77 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -82.0 128.36 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -118.05 107.5 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.02 -29.39 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -107.91 159.09 31.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.2 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 48' ' ' PHE . 25.6 m -54.96 167.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 54' ' ' ASP . 37.3 t80 -117.25 142.52 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.68 116.75 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -82.82 19.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -115.72 -52.86 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.9 p -116.86 32.36 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.0 p 31.76 54.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 14.5 m-20 -123.35 -173.14 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -121.58 134.24 55.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.582 HG12 ' CD2' ' A' ' 74' ' ' HIS . 16.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 10.3 mt -114.53 114.5 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -101.57 130.04 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 68' ' ' VAL . 26.3 t -72.77 125.82 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 17.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' A' ' 66' ' ' CYS . 41.5 t -119.18 -57.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' PHE . 18.2 p -115.05 30.12 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' CYS . 52.6 p 37.63 32.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 73' ' ' VAL . 72.0 t80 -85.62 101.08 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' LEU . 8.5 p -109.39 125.75 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 71' ' ' PHE . 30.4 m -143.5 155.61 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.582 ' CD2' HG12 ' A' ' 56' ' ' ILE . 28.5 m80 -34.8 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.512 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -58.66 -39.33 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -77.63 -43.46 31.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' VAL . 20.6 m -51.0 -34.45 29.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.433 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -42.62 -62.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.02 -28.74 67.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -77.7 -24.55 49.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' CYS . 47.0 t -48.64 144.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.443 HG21 ' N ' ' A' ' 83' ' ' PHE . 7.6 t -120.5 -38.2 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' N ' HG21 ' A' ' 82' ' ' THR . 52.4 t80 -47.16 155.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.03 124.87 50.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.11 133.88 40.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.29 8.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.25 -67.59 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.6 m-70 -89.08 176.6 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 0.0 110.805 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -87.13 62.21 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 85.6 m-85 -66.66 159.62 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -158.06 118.37 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.77 122.76 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -148.75 121.03 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -53.26 121.4 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.51 135.29 43.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -99.24 -40.48 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.26 161.28 28.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.73 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' HG11 ' A' ' 72' ' ' VAL . 32.9 m -58.85 145.81 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 58.1 t80 -96.53 134.58 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.37 112.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -79.95 37.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -134.9 -53.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.2 p -115.44 28.89 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 31.1 m 34.2 53.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -123.41 -179.13 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -117.21 129.39 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.571 HG12 ' CD2' ' A' ' 74' ' ' HIS . 17.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.2 118.39 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -100.77 137.41 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.408 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.9 t -79.52 134.41 36.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -88.06 32.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 29.6 t -134.94 -60.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.7 p -113.77 24.69 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m 44.84 29.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -83.64 102.22 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 47' ' ' THR . 5.4 p -106.69 136.23 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' HIS . 20.3 m -156.21 152.28 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.6 m80 -34.76 152.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -58.12 -42.6 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -74.46 -45.76 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.7 m -48.23 -33.64 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -39.94 -68.54 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 5.0 pt-20 -50.64 -36.12 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.477 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.9 m-85 -68.18 -35.93 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.3 t -43.77 138.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 83' ' ' PHE . 9.6 t -113.83 -43.03 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.458 ' N ' HG22 ' A' ' 82' ' ' THR . 18.4 t80 -45.95 136.94 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.05 143.95 26.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 t -65.2 130.13 94.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.47 9.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.481 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -84.8 -53.93 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 45.9 m-70 -89.99 164.25 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -82.34 68.19 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -72.5 133.11 44.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -139.35 140.12 37.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.54 116.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 43' ' ' PHE . 3.5 tpp180 -132.31 130.82 41.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.31 137.32 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 41' ' ' ARG . 17.9 m-85 -137.17 110.93 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -68.48 -40.93 80.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 1.2 pt20 -97.56 156.51 36.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.7 Cg_endo -69.74 87.03 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 m -56.38 152.86 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 35.8 t80 -92.96 121.49 34.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 45.6 t -75.43 117.69 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.4 t -81.3 38.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 49' ' ' CYS . 33.4 t60 -134.72 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.5 p -120.29 28.76 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 41.7 p 34.65 50.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 7.4 m-20 -128.87 153.41 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -72.85 156.59 38.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt -114.31 115.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.45 121.0 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.34 130.75 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -83.78 29.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.6 t -132.27 -63.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 p -109.16 26.04 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.61 28.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 73' ' ' VAL . 88.4 t80 -80.92 105.58 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -105.64 128.67 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 71' ' ' PHE . 35.5 m -153.09 155.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.49 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.2 m80 -38.28 159.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -63.25 -44.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 14.7 ptt180 -74.31 -42.93 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 27.8 m -50.81 -29.19 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.05 -61.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 4.4 pt-20 -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.439 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 m-85 -67.4 -38.83 85.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -43.37 117.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 p -92.04 -32.46 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.49 140.13 47.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.04 139.27 30.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.436 ' HA ' ' CE1' ' A' ' 36' ' ' HIS . 8.7 t -59.92 133.61 89.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.69 -62.43 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.4 m-70 -80.8 177.67 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -85.39 42.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 65.7 m-85 -53.06 151.23 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -171.54 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.1 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.25 137.92 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.82 91.21 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -93.19 133.82 36.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -99.75 -38.93 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -92.75 160.29 34.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 92.77 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.48 HG21 ' N ' ' A' ' 48' ' ' PHE . 17.2 m -75.05 156.79 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' N ' HG21 ' A' ' 47' ' ' THR . 15.4 t80 -108.04 149.66 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.47 112.21 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 7.0 t -82.52 36.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -132.8 -48.57 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.54 23.95 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.3 m 37.71 42.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -124.53 169.35 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.05 147.68 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.453 HG12 ' CD2' ' A' ' 74' ' ' HIS . 74.8 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.2 mt -103.18 120.99 41.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.556 ' NE2' ' C ' ' A' ' 70' ' ' SER . 21.1 tp60 -96.67 121.51 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 t -70.94 136.39 48.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -90.82 32.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.39 -61.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.9 p -110.09 19.64 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.556 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 6.7 t 48.36 34.99 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.584 ' CE2' HG11 ' A' ' 73' ' ' VAL . 24.4 t80 -86.78 101.11 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HB ' ' CD ' ' A' ' 65' ' ' GLN . 9.1 p -103.16 117.98 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.584 HG11 ' CE2' ' A' ' 71' ' ' PHE . 28.2 m -143.11 154.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.453 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.9 m170 -35.98 154.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -59.93 -48.14 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 10.9 ptp180 -68.85 -39.55 79.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 21.2 m -55.42 -40.17 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.541 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.55 -71.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 6.9 pt-20 -48.89 -36.43 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.463 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.1 m-85 -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.8 t -42.35 119.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.0 p -89.48 -46.26 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 24.7 t80 -59.29 134.89 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 9.9 tt0 -84.26 166.39 17.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.11 132.42 67.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.91 5.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.61 -56.51 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.324 . . . . 0.0 111.106 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -83.91 178.38 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -79.28 43.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.9 m-85 -50.65 146.5 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -157.47 124.42 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.14 128.81 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -150.34 162.86 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -85.64 146.59 26.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -134.36 127.15 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -88.77 -45.37 9.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.19 153.72 54.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.485 ' CG2' HG11 ' A' ' 72' ' ' VAL . 45.8 m -65.35 153.18 41.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 53' ' ' THR . 16.5 t80 -108.78 148.06 31.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.28 110.24 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -79.72 38.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -134.14 -53.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.3 p -117.0 28.55 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.518 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 8.9 t 33.1 52.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 4.0 m-20 -130.22 161.38 31.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -75.31 158.2 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 HG12 ' CD2' ' A' ' 74' ' ' HIS . 70.2 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.1 mt -90.44 125.11 35.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.713 0.292 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -106.14 147.91 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 32.8 t -92.68 133.01 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -83.95 29.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 32.7 t -133.39 -59.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.0 p -112.36 25.55 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' CYS . 5.1 m 36.83 37.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -89.97 101.89 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -99.45 135.15 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' HIS . 21.8 m -154.1 153.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.465 ' CD2' HG12 ' A' ' 56' ' ' ILE . 31.5 m170 -38.34 158.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.83 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 6.4 ptp180 -69.05 -42.01 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 78' ' ' HIS . 72.6 m -56.56 -34.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.631 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 3.1 t-160 -35.03 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.1 pt-20 -47.01 -48.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 79' ' ' GLU . 45.9 m-85 -51.78 -44.5 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' PHE . 88.8 t -35.67 125.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.4 p -107.23 -44.4 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.04 141.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -91.47 138.98 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -61.58 133.6 93.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.07 5.67 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -86.36 -72.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 13.7 m-70 -76.13 175.6 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -83.12 44.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 72.9 m-85 -51.23 148.59 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.42 ' C ' HD21 ' A' ' 64' ' ' LEU . 12.3 t -153.57 147.04 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.57 127.69 33.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 41' ' ' ARG . 15.4 ttm180 -150.71 143.26 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -75.02 125.98 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.12 106.8 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -38.48 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -92.18 153.65 43.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 85.6 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.408 ' CG2' ' H ' ' A' ' 48' ' ' PHE . 8.5 m -55.06 169.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 73.0 t80 -115.45 116.25 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 51' ' ' HIS . 46.5 t -74.57 112.81 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.0 m -77.86 38.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.5 t60 -134.84 -48.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.0 p -120.11 26.04 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' CYS . 54.6 p 36.26 51.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -125.92 171.57 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.13 151.77 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 74' ' ' HIS . 18.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 39' ' ' THR . 5.9 mt -128.95 111.29 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 12.1 tp60 -88.89 132.89 34.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -81.0 130.59 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -83.93 29.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.477 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 41.1 t -131.77 -59.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 p -115.37 27.02 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 m 41.19 31.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.571 ' CE1' ' CG1' ' A' ' 73' ' ' VAL . 48.2 t80 -87.95 106.94 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 7.8 p -108.39 139.5 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.571 ' CG1' ' CE1' ' A' ' 71' ' ' PHE . 31.0 m -159.92 150.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 56' ' ' ILE . 35.4 m80 -39.8 161.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -62.49 -37.62 86.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptm85 -73.32 -44.47 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 57.9 m -60.61 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.604 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -46.58 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -48.68 -47.94 40.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -50.39 -42.35 53.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.6 t -39.58 118.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -96.53 -39.25 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 36.2 t80 -42.98 157.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -110.49 123.18 49.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 t -48.76 133.83 14.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.674 0.75 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.27 16.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.477 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -87.51 -55.02 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.2 m-70 -55.01 172.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -79.04 69.95 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 61.8 m-85 -79.47 139.45 37.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 t -149.33 121.44 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.97 125.02 19.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -147.89 167.1 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.04 134.04 34.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -117.09 125.22 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -79.76 -40.97 27.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -100.72 154.92 36.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 79.0 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.433 ' CG2' HG13 ' A' ' 72' ' ' VAL . 6.5 m -49.13 156.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 54' ' ' ASP . 13.4 t80 -112.86 143.85 43.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.7 t -87.44 109.85 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -80.42 38.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 11.7 t60 -134.7 -48.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.59 19.97 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 m 41.94 52.61 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 51.0 m-20 -128.47 166.48 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.09 139.29 34.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.551 HG12 ' CD2' ' A' ' 74' ' ' HIS . 12.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.8 mt -106.79 115.2 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -99.48 144.21 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -84.69 135.14 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -85.04 29.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 36.2 t -134.37 -59.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.419 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 24.3 p -111.73 25.65 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.6 p 39.95 32.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CE2' HG11 ' A' ' 73' ' ' VAL . 91.0 t80 -84.68 109.97 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 47' ' ' THR . 9.7 p -106.82 140.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.7 m -157.95 151.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.551 ' CD2' HG12 ' A' ' 56' ' ' ILE . 32.0 m80 -43.04 167.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -67.61 -48.16 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptp180 -70.51 -41.27 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 30.4 m -53.44 -29.27 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -40.59 -68.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -49.48 -42.22 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.495 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 61.5 m-85 -59.25 -38.14 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PHE . 92.7 t -37.64 117.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.0 p -100.93 -47.16 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 44.5 t80 -42.97 151.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.475 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 8.2 mm-40 -104.26 132.45 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.37 133.71 70.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.419 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -85.89 -72.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -82.59 164.37 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -80.19 75.4 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.4 m-85 -78.7 133.51 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -135.5 115.17 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.12 128.25 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.16 128.91 9.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.92 136.75 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -120.63 125.15 47.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.51 -39.94 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.81 153.95 37.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.77 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 48' ' ' PHE . 24.7 m -55.61 162.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 47.1 t80 -107.91 123.25 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.419 ' C ' ' H ' ' A' ' 51' ' ' HIS . 28.1 t -77.34 114.62 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -79.99 34.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.419 ' H ' ' C ' ' A' ' 49' ' ' CYS . 16.4 t60 -134.5 -42.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 53' ' ' THR . 27.8 p -122.78 28.7 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p 30.65 43.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -125.37 156.61 38.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -85.78 140.12 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.487 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -106.04 109.98 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.702 0.286 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -92.12 141.41 28.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.3 t -83.88 131.99 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.16 31.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.9 t -133.72 -59.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.5 p -115.18 26.62 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 m 43.0 30.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' CE2' HG12 ' A' ' 73' ' ' VAL . 33.2 t80 -84.72 102.5 13.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.3 p -107.67 131.93 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.442 HG12 ' CE2' ' A' ' 71' ' ' PHE . 27.3 m -150.75 153.14 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.487 ' CD2' HG12 ' A' ' 56' ' ' ILE . 49.2 m80 -39.06 159.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -60.48 -50.5 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 3.0 ptt-85 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 34.3 m -57.43 -31.94 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -43.13 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 9.4 pt-20 -44.88 -40.06 5.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.486 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 39.8 m-85 -62.62 -36.19 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.7 t -38.52 133.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.6 p -117.64 -42.99 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -43.24 140.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -90.8 120.1 31.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.28 133.83 12.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.423 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.4 Cg_endo -69.76 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.498 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -69.87 -66.45 2.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 111.101 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -63.04 174.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -91.53 82.76 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 78.0 m-85 -83.16 147.82 27.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -147.7 121.61 9.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.23 129.19 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -152.42 139.82 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.94 127.14 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -109.94 100.33 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -62.19 -39.64 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.423 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 5.5 mm100 -98.83 161.49 24.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 53.4 Cg_endo -69.77 115.47 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.467 ' CG2' HG13 ' A' ' 72' ' ' VAL . 7.1 m -89.26 166.19 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 53' ' ' THR . 27.6 t80 -119.08 146.63 44.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -95.03 109.49 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 p -80.26 39.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -134.91 -53.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.7 p -112.53 23.6 13.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.495 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 25.1 m 35.21 50.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -130.95 161.76 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 9.2 p90 -75.38 148.81 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.591 HG12 ' CD2' ' A' ' 74' ' ' HIS . 49.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 75' ' ' ARG . 18.1 mt -112.86 112.53 24.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -96.4 124.82 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.97 131.1 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -81.98 29.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.479 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 27.1 t -132.08 -58.2 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 6.3 p -114.1 22.86 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 32.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 73' ' ' VAL . 26.2 t80 -83.92 104.09 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 47' ' ' THR . 3.1 p -106.67 129.17 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 71' ' ' PHE . 33.1 m -148.79 159.03 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.591 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.0 m80 -46.42 150.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.477 ' HD2' ' CD1' ' A' ' 64' ' ' LEU . 4.7 mmm180 -56.96 -21.74 32.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -87.7 -45.09 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.4 m -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.601 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.41 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 13.9 pt-20 -46.4 -45.13 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 81' ' ' VAL . 28.9 m-85 -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' PHE . 83.6 t -36.97 124.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 83' ' ' PHE . 6.9 t -110.03 -36.85 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 22.4 t80 -45.5 140.41 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 12.0 tt0 -84.82 137.08 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.1 t -65.53 133.3 95.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.472 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.76 -46.23 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.479 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.99 -51.77 6.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.08 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -55.81 174.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -87.7 76.16 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.468 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 26.4 m-85 -82.57 130.16 35.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -131.76 108.82 9.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . . . -42.93 122.99 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -154.61 134.22 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -65.6 143.45 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -117.61 123.71 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 45' ' ' GLN . 26.7 pttt -80.88 -40.12 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 37.3 mt-30 -94.23 157.48 37.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.5 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 48' ' ' PHE . 16.6 m -69.67 145.89 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' C ' ' A' ' 53' ' ' THR . 17.7 t80 -104.54 147.83 27.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 51' ' ' HIS . 24.7 t -89.21 110.74 21.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -79.8 38.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.401 ' H ' ' C ' ' A' ' 49' ' ' CYS . 30.8 t60 -133.18 -52.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 22.5 p -112.68 23.73 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.48 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 9.8 t 38.13 49.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 35.5 m-20 -130.6 162.72 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -84.22 154.32 23.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.543 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 22.1 mt -118.83 112.62 19.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.943 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -96.24 137.96 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.03 134.88 35.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.06 24.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -129.92 -59.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.3 p -112.99 29.38 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' CYS . 16.5 m 33.96 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE2' HG11 ' A' ' 73' ' ' VAL . 46.8 t80 -88.35 103.83 16.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.42 ' C ' HG13 ' A' ' 73' ' ' VAL . 8.7 p -104.29 131.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.531 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.2 m -152.07 151.52 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.543 ' CD2' HG12 ' A' ' 56' ' ' ILE . 26.3 m80 -41.3 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -50.27 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 5.7 ptp180 -62.03 -32.28 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' HIS . 21.5 m -68.93 -42.86 76.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -36.75 -66.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 14.4 pt-20 -55.46 -49.12 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 76' ' ' ARG . 17.5 m-85 -51.58 -36.18 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.3 t -45.23 135.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.5 p -117.92 -43.39 2.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 84' ' ' GLU . 8.4 t80 -37.03 146.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 8.0 pt-20 -96.99 117.36 30.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' A' ' 86' ' ' PRO . 7.2 t -41.02 134.64 1.74 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.76 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.63 -46.92 22.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.97 171.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -78.65 43.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CD2' ' CG ' ' A' ' 78' ' ' HIS . 47.0 m-85 -51.05 121.42 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -133.96 120.6 20.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.24 124.26 18.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -144.87 150.47 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.19 131.04 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 41' ' ' ARG . 3.4 m-85 -117.94 151.5 37.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -114.36 -44.94 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.409 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 7.7 pt20 -94.11 155.11 40.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.5 Cg_endo -69.81 81.56 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 48' ' ' PHE . 32.4 m -50.32 160.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.514 ' N ' HG22 ' A' ' 47' ' ' THR . 6.3 t80 -104.87 125.76 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 51' ' ' HIS . 47.9 t -84.13 104.54 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -77.17 39.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 49' ' ' CYS . 19.6 t60 -133.94 -48.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 26.8 p -122.23 28.0 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.3 m 37.46 53.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 25.7 m-20 -135.18 160.17 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.48 148.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 74' ' ' HIS . 63.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -95.99 114.28 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.15 142.08 28.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.5 t -88.4 136.25 33.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.68 30.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.462 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 40.0 t -133.17 -65.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.7 p -107.35 25.04 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.51 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 73' ' ' VAL . 65.8 t80 -83.78 106.84 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.411 ' HB ' ' CD ' ' A' ' 65' ' ' GLN . 7.3 p -113.96 127.66 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 71' ' ' PHE . 27.1 m -145.25 153.75 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.576 ' CD2' HG12 ' A' ' 56' ' ' ILE . 34.7 m80 -34.31 152.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -53.51 -48.31 69.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 26.9 ptt-85 -69.24 -50.54 46.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 20.4 m -41.47 -39.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.511 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -41.09 -71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.82 -38.53 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 77' ' ' CYS . 24.6 m-85 -69.04 -35.84 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 78' ' ' HIS . 76.2 t -41.67 132.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -114.54 -44.06 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -43.1 122.38 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -73.6 133.85 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.19 133.62 84.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -52.57 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.462 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -66.07 -89.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 t -75.84 111.42 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.8 p -74.11 124.19 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.19 83.17 0.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -71.99 -44.74 63.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t 44.59 41.19 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.68 -149.21 5.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.503 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 35.9 m-70 -84.6 176.61 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -82.01 40.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 69.7 m-85 -50.46 137.02 19.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -162.52 130.62 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.15 127.15 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -149.87 122.55 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -51.8 139.51 21.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -123.36 88.75 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.48 -27.87 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 43.3 mt-30 -107.23 160.14 27.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.439 ' HA ' ' CB ' ' A' ' 57' ' ' TRP . 54.2 Cg_endo -69.73 92.62 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.444 ' CG2' HG12 ' A' ' 72' ' ' VAL . 21.5 m -64.73 150.21 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 4.9 t80 -123.74 117.14 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.01 121.46 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.8 t -95.34 43.36 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -134.51 -60.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.67 -13.69 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.0 m 71.61 47.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -132.41 171.47 13.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -87.34 158.95 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.56 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.0 mt -119.92 -49.18 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.439 ' CB ' ' HA ' ' A' ' 46' ' ' PRO . 52.9 t-105 -66.84 92.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.29 -52.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 59' ' ' ILE . 2.7 pp -83.22 33.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.58 -168.59 12.99 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -119.0 41.06 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.8 86.4 4.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.92 111.72 0.65 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -114.81 112.95 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.13 135.11 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.62 133.3 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -85.99 27.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 25.5 t -129.61 -59.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 18.6 p -112.29 23.11 14.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 40.69 38.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.573 ' CE2' HG11 ' A' ' 73' ' ' VAL . 32.2 t80 -96.22 98.21 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.455 ' N ' ' OE1' ' A' ' 65' ' ' GLN . 7.1 p -96.49 128.69 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.573 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 m -140.62 143.95 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.56 ' CD2' HG12 ' A' ' 56' ' ' ILE . 67.0 m80 -40.26 161.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -54.74 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 17.6 ptt180 -71.2 -38.35 72.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 57.7 m -59.98 -33.2 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -45.81 -64.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 12.7 pt-20 -57.86 -43.44 85.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 15.3 m-85 -55.63 -39.24 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 77.3 t -39.18 134.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -119.64 -28.84 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -53.23 149.56 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -98.31 115.67 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.07 133.88 7.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -29.07 24.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.461 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -102.6 -48.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.58 109.25 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.58 -95.38 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -83.37 156.42 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.42 -163.11 36.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 113.4 3.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -60.66 172.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.8 p -45.37 -47.27 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -58.28 163.48 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.44 122.25 17.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.68 153.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' LYS . 95.3 m-20 -139.89 -178.71 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ASN . 20.5 tttm -37.87 127.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -79.92 157.99 26.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.69 159.2 29.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -111.24 -56.98 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -72.9 176.8 5.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -84.72 113.1 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -147.77 148.92 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.26 54.97 3.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -124.48 136.11 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -80.82 170.89 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.88 -172.58 22.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -75.66 171.7 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.52 81.46 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -93.58 154.34 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -147.59 111.68 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.407 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . . . -47.97 121.17 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 7.0 ptm180 -153.34 146.41 24.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -77.48 131.48 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.81 122.94 46.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -38.32 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -95.13 152.73 39.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.13 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -77.23 166.64 22.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 33.3 t80 -117.65 132.21 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -80.04 116.78 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.4 m -86.01 39.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.429 ' CD2' ' C ' ' A' ' 51' ' ' HIS . 4.0 t60 -134.26 -52.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.5 14.58 21.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 m 44.15 54.14 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -137.22 165.05 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.82 155.27 33.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.537 HG12 ' CD2' ' A' ' 74' ' ' HIS . 40.8 mt -107.07 -39.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -40.45 131.66 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.36 -102.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.8 mt -47.09 -57.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.62 -70.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.441 ' HE3' ' CA ' ' A' ' 41' ' ' ARG . 19.1 tptm -101.49 51.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -119.05 42.88 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.51 123.17 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 18.7 mt -123.38 120.02 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.38 145.36 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.6 t -88.13 129.23 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -86.98 26.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.46 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 37.9 t -126.68 -48.71 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.9 21.86 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m 47.94 25.05 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CE2' HG12 ' A' ' 73' ' ' VAL . 70.2 t80 -86.24 107.54 17.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.417 ' C ' HG11 ' A' ' 73' ' ' VAL . 4.1 p -107.94 144.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.498 HG12 ' CE2' ' A' ' 71' ' ' PHE . 17.5 m -157.11 150.6 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.537 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.8 m80 -41.88 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -60.34 -47.64 85.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -68.17 -30.8 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' HIS . 35.1 m -69.28 -39.23 78.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -33.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 11.0 pt-20 -52.54 -45.87 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -53.01 -33.42 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.6 t -41.31 136.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.7 p -115.39 -47.07 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -45.8 135.38 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -82.77 139.9 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.5 t -66.66 133.76 94.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.46 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -68.55 -58.97 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . -35.85 -54.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.36 -146.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -46.91 -46.03 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.16 76.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.73 15.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.18 36.4 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 20.0 m -123.95 42.28 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.56 125.33 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -115.32 65.14 2.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.436 ' C ' ' HG3' ' A' ' 98' ' ' ARG . 54.0 Cg_endo -69.77 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HG3' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -136.44 176.92 8.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -100.25 106.86 18.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -47.15 172.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.406 ' CD2' ' H ' ' A' ' 102' ' ' LYS . 11.5 t60 -140.62 178.74 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' H ' ' CD2' ' A' ' 101' ' ' HIS . 5.2 tttp -109.6 141.5 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -104.84 124.17 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -60.4 143.23 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.42 ' C ' HD23 ' A' ' 105' ' ' LEU . 7.2 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -164.25 129.36 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -100.16 -43.52 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.6 125.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -151.46 121.81 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.0 m -137.21 115.67 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.92 169.08 26.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 16.8 m-70 -54.02 173.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -89.74 73.15 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 68.2 m-85 -81.15 145.51 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -158.65 148.68 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 126.19 23.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -148.15 119.44 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -56.12 148.66 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -144.66 106.14 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -79.46 -24.41 42.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -99.44 157.39 34.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.422 ' HA ' ' CB ' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.81 81.91 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.8 m -46.19 159.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -121.74 108.63 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.0 t -61.4 125.92 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.56 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 73.3 m -97.48 28.98 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.427 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 12.5 t60 -124.69 -46.33 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.53 -1.32 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 51.8 m 61.5 54.88 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -144.23 168.41 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.23 152.53 26.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.513 HG12 ' CD2' ' A' ' 74' ' ' HIS . 60.7 mt -103.93 -56.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.422 ' CB ' ' HA ' ' A' ' 46' ' ' PRO . 26.9 t90 -47.83 -40.38 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' TRP . . . -37.99 -52.48 2.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.74 -48.99 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.04 155.7 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -12.42 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -51.9 92.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -148.08 158.86 27.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.38 126.4 26.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -110.59 148.61 31.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.9 t -90.71 121.32 32.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -72.83 2.55 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 9.8 t -100.72 -62.36 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 p -108.8 25.22 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m 40.95 27.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 61.6 t80 -87.27 118.77 26.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 2.2 p -118.55 149.29 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.524 HG11 ' CE2' ' A' ' 71' ' ' PHE . 35.9 m -161.24 157.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.513 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.1 m80 -42.57 148.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.16 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.05 -45.68 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 43.9 m -50.36 -20.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.536 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.1 -67.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.42 -29.22 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 12.0 m-85 -73.79 -28.5 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 49.4 t -46.02 118.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -111.22 0.74 16.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -83.55 133.11 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.65 129.11 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 8.6 t -63.9 133.8 95.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.98 17.5 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -93.64 -48.37 2.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.56 138.08 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.64 134.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -121.45 174.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.65 -126.55 3.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -43.45 2.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -64.52 145.43 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.5 m -117.39 126.25 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.68 155.99 19.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -109.67 116.66 53.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.9 Cg_endo -69.72 6.67 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.516 ' C ' ' O ' ' A' ' 97' ' ' PRO . 13.9 ptt180 -28.82 139.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -116.7 150.67 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 156.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -52.46 142.75 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -77.96 115.31 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -73.48 173.65 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -104.87 125.44 50.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.4 m -112.6 144.48 42.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -108.67 104.62 13.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.34 89.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -124.69 135.36 52.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -115.1 116.57 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.57 -168.45 23.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -89.98 174.15 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -80.93 42.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 59.8 m-85 -50.04 153.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -172.71 138.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 120.78 11.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -134.12 119.71 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -52.6 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -99.59 127.35 45.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -91.83 -41.36 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -88.11 155.14 52.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 79.97 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.457 ' CG2' HG13 ' A' ' 72' ' ' VAL . 16.1 m -54.5 163.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 53' ' ' THR . 14.0 t80 -120.98 130.12 53.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.9 t -78.02 119.06 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -87.25 33.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -129.16 -46.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.3 p -123.02 26.94 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.565 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 9.7 t 34.52 55.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 6.9 m-20 -136.72 158.04 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -80.63 143.64 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 74' ' ' HIS . 20.2 mt -97.24 -48.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -63.49 121.45 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 164.98 -88.07 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -59.72 -175.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.67 43.37 2.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -142.83 149.99 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -111.95 179.0 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -117.34 156.74 15.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.31 127.09 52.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -105.95 142.96 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.6 t -86.27 133.78 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -87.87 29.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.99 -64.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.4 p -107.44 22.8 15.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.38 27.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' CE2' HG13 ' A' ' 73' ' ' VAL . 64.3 t80 -82.48 102.25 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 5.6 p -101.41 146.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 21.3 m -160.96 149.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 56' ' ' ILE . 44.0 m80 -35.74 153.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -53.66 -45.2 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.46 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 22.0 ptt-85 -74.48 -44.24 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 22.7 m -49.24 -25.74 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.638 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.2 t-160 -48.21 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 10.2 pt-20 -49.24 -38.32 26.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 50.9 m-85 -62.62 -35.86 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 82' ' ' THR . 76.7 t -40.38 135.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.468 ' N ' HG12 ' A' ' 81' ' ' VAL . 71.5 p -116.22 -45.17 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -40.98 148.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -99.41 125.5 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.1 t -52.6 133.74 45.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.6 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.33 -59.53 2.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.81 74.93 0.75 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -101.33 -44.6 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -44.22 146.09 1.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.99 9.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.86 92.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -47.21 148.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -98.22 39.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' A' ' 98' ' ' ARG . 14.7 t70 -120.23 133.34 23.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 13.44 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.302 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.46 ' H ' ' C ' ' A' ' 96' ' ' ASP . 8.8 ptp180 -59.34 -179.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.33 130.6 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -97.51 154.32 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -46.61 -53.41 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -50.69 125.22 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -133.15 155.21 49.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -111.4 132.0 54.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 m -123.24 157.17 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p -155.28 129.23 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.7 132.44 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.1 m -93.75 -49.22 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -115.9 139.88 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.24 165.9 10.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.56 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 13.3 m-70 -65.01 -178.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -80.58 42.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 71.4 m-85 -51.07 147.93 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -159.47 141.51 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.96 126.03 25.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -140.39 131.63 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -72.66 114.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.2 124.91 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.64 -44.94 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.421 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 8.6 mm100 -84.18 161.58 54.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 54.0 Cg_endo -69.76 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.447 HG21 ' N ' ' A' ' 48' ' ' PHE . 24.1 m -55.84 147.36 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 40.5 t80 -108.6 127.25 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.405 ' C ' ' H ' ' A' ' 51' ' ' HIS . 48.8 t -78.63 113.16 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.566 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 3.6 t -79.21 39.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 49' ' ' CYS . 5.7 t60 -134.45 -47.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.68 23.88 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 64.7 p 38.92 43.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.35 155.28 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -77.32 150.61 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 74' ' ' HIS . 21.1 mt -98.67 -50.9 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -58.66 -44.15 90.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 -110.16 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.3 tt -88.17 -44.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.076 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.47 78.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -149.19 157.3 43.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -111.81 164.74 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.56 162.38 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.37 118.33 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -99.86 144.26 29.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 t -86.78 132.88 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.27 30.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 15.9 t -134.81 -60.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 8.0 p -110.84 24.68 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.9 m 40.1 34.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 17.8 t80 -89.69 104.56 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.418 ' C ' HG12 ' A' ' 73' ' ' VAL . 7.4 p -105.25 129.3 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.451 HG13 ' CE2' ' A' ' 71' ' ' PHE . 35.2 m -144.18 146.12 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.579 ' CD2' HG12 ' A' ' 56' ' ' ILE . 42.0 m80 -38.38 158.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.35 -47.13 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.5 m -57.3 -30.9 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.696 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.9 t-80 -44.92 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -52.68 -42.72 65.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.64 -39.79 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 89.7 t -39.29 113.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.5 p -97.33 -37.31 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.458 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 28.8 t80 -45.37 136.85 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -88.28 114.33 24.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 16.4 t -41.81 134.22 2.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.458 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.75 -26.31 27.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -100.75 -60.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.98 -49.85 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.22 91.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -65.52 -41.22 93.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . -156.12 174.84 33.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 13.82 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 91' ' ' GLY . 26.9 tt0 -62.25 105.15 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.3 p -96.9 173.32 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ASP . 1.9 p-10 -51.48 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.514 ' C ' ' H ' ' A' ' 98' ' ' ARG . 2.2 m-20 -34.44 140.36 0.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.739 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.527 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.76 19.61 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.527 ' C ' ' O ' ' A' ' 97' ' ' PRO . 67.5 mtt85 -27.94 101.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.99 176.52 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' HIS . 9.1 ptmm? -37.28 146.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -35.58 150.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.2 mttm -35.53 152.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.34 178.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.15 178.41 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -103.92 83.11 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t 50.14 41.8 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.69 166.78 30.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 p -83.09 113.86 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -120.74 97.11 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.33 177.75 13.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 19.6 m-70 -61.54 179.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -97.31 52.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 63.2 m-85 -58.85 166.15 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 t -158.59 105.3 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.75 111.66 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -137.4 135.68 37.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -49.08 150.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.92 91.71 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.85 -27.58 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -121.17 157.7 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 53.2 Cg_endo -69.79 131.54 21.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 56' ' ' ILE . 1.1 m -112.11 174.0 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CZ ' ' C ' ' A' ' 53' ' ' THR . 37.7 t80 -123.02 138.5 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.9 t -83.07 112.94 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.578 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.3 m -77.38 9.26 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.414 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 56.6 t60 -106.31 -54.12 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' THR . 31.2 p -107.95 22.84 15.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' CYS . 72.0 p 33.29 54.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.93 154.22 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 46' ' ' PRO . 2.4 t80 -64.89 154.11 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.417 HD13 ' C ' ' A' ' 48' ' ' PHE . 72.5 mt -127.97 82.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 58' ' ' GLY . 13.3 t-105 -150.0 155.59 40.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' N ' ' CD2' ' A' ' 57' ' ' TRP . . . 145.32 -143.37 11.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 60' ' ' GLY . 23.1 mm -107.06 138.04 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.413 ' N ' HG23 ' A' ' 59' ' ' ILE . . . 96.41 -171.33 27.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.522 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -125.65 82.08 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -108.43 48.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.444 ' C ' HD22 ' A' ' 64' ' ' LEU . . . -134.34 125.83 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD22 ' C ' ' A' ' 63' ' ' GLY . 3.9 mm? -111.33 97.0 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -93.02 111.15 22.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.81 132.26 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.67 29.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.423 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 15.9 t -128.6 -69.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.457 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 5.1 p -97.8 5.38 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m 64.12 30.64 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 9.5 t80 -81.94 109.36 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.428 ' C ' HG13 ' A' ' 73' ' ' VAL . 9.2 p -107.98 119.4 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.575 HG11 ' CE2' ' A' ' 71' ' ' PHE . 20.0 m -143.86 146.32 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.415 ' NE2' HG12 ' A' ' 56' ' ' ILE . 37.8 m80 -39.88 158.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG2' ' CD2' ' A' ' 64' ' ' LEU . 2.2 tmm_? -66.48 -31.11 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.62 -18.43 54.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' HIS . 66.2 m -92.19 -30.33 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -34.24 -63.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.2 pt-20 -56.48 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' VAL . 25.9 m-85 -42.32 -49.9 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 80' ' ' PHE . 61.3 t -32.75 143.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.8 p -129.76 -34.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -45.99 127.33 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.82 133.09 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.05 133.71 95.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.457 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.423 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -93.23 -53.79 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.92 151.9 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.73 -166.32 35.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 90' ' ' LYS . 12.5 tmtt? -90.04 101.84 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.97 -174.36 34.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.82 4.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -76.24 107.5 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.2 t -69.04 123.49 21.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -99.49 176.42 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' ASP . 10.5 t0 -34.9 103.59 0.24 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 1.46 4.47 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.2 mmm-85 -91.34 85.92 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.19 175.37 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 162.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -42.56 100.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.09 130.03 37.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -72.09 106.16 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.81 165.61 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -80.41 117.33 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -155.48 119.56 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.62 -103.74 2.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.9 p -172.35 118.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -79.69 92.43 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.45 179.28 46.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -76.53 177.02 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -78.65 44.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 53.4 m-85 -54.89 140.69 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 t -156.58 141.02 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.73 122.69 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -136.02 131.05 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.46 117.92 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.53 111.01 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -76.11 -34.16 59.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -103.99 161.73 22.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 90.22 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.469 ' HB ' ' CD1' ' A' ' 56' ' ' ILE . 3.5 m -59.13 147.18 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.38 136.38 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 t -90.48 118.16 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.551 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 37.2 m -84.17 25.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.474 ' CB ' HG11 ' A' ' 73' ' ' VAL . 28.2 t60 -122.05 -49.72 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' THR . 25.7 p -116.5 25.97 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 9.9 t 33.72 54.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.86 160.79 37.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -77.72 155.82 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.579 HG12 ' CD2' ' A' ' 74' ' ' HIS . 28.9 mt -113.27 79.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.532 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 8.5 t-105 -137.13 161.7 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.532 ' N ' ' CG ' ' A' ' 57' ' ' TRP . . . 114.94 129.01 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.02 145.53 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.72 -47.15 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.96 135.16 42.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -137.07 -174.82 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -125.97 159.61 20.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 38' ' ' PHE . 10.8 mt -120.83 120.87 36.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -90.15 137.54 32.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.3 t -85.24 130.92 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -85.54 27.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 44.8 t -129.63 -58.19 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.429 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 6.6 p -115.47 25.67 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m 44.57 25.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.585 ' CE2' HG13 ' A' ' 73' ' ' VAL . 25.5 t80 -81.74 100.89 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.2 p -106.84 124.46 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.585 HG13 ' CE2' ' A' ' 71' ' ' PHE . 17.3 m -142.34 153.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.579 ' CD2' HG12 ' A' ' 56' ' ' ILE . 39.0 m80 -40.32 158.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -60.78 -53.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 6.6 ptm180 -58.25 -33.61 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 80' ' ' PHE . 56.7 m -69.12 -36.65 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -36.16 -34.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 3.8 pt-20 -88.15 -40.06 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 28.9 m-85 -61.57 -32.79 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 64.5 t -42.91 120.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 t -100.03 -28.5 13.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 84' ' ' GLU . 11.7 t80 -64.7 135.39 55.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 7.2 mm-40 -87.92 138.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.7 t -59.15 131.77 87.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.739 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.454 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -67.01 -54.09 23.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 123.84 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.04 118.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -45.09 133.73 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.96 171.48 22.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -130.61 94.51 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.5 m -80.41 133.82 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' ASP . 2.2 p30 -87.17 163.9 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ASP . 4.9 m-20 -33.73 96.91 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.421 ' N ' ' O ' ' A' ' 95' ' ' ASP . 53.5 Cg_endo -69.78 -36.46 10.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -144.61 161.99 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -66.59 116.14 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -47.77 127.08 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -127.43 174.74 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.63 150.77 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -122.47 169.45 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -148.26 142.8 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.9 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 t -108.44 96.43 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.2 p -81.01 106.41 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 -124.6 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -133.44 98.8 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -61.71 87.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.54 161.21 20.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 30.6 m-70 -54.05 176.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -81.26 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 57.6 m-85 -50.23 129.95 22.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -142.24 117.66 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.33 125.75 24.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -146.02 162.51 37.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 122.98 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -105.76 97.82 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -58.0 -44.1 87.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -102.43 154.16 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 52.2 m -91.44 154.77 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE1' ' C ' ' A' ' 54' ' ' ASP . 12.3 t80 -99.8 158.62 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -98.27 112.04 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.52 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t -82.09 37.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -134.14 -52.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.6 p -115.36 28.59 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 27.9 p 34.3 54.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' C ' ' CE1' ' A' ' 48' ' ' PHE . 44.8 m-20 -136.45 165.97 24.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -87.17 141.51 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.49 -44.96 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -52.91 97.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.28 -159.32 11.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 60' ' ' GLY . 7.0 pt -53.78 -25.57 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.375 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.436 ' N ' HG13 ' A' ' 59' ' ' ILE . . . 170.89 59.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -132.63 155.74 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 159.99 32.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.67 -178.6 23.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.7 mt -127.45 107.22 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 70' ' ' SER . 1.6 tp60 -90.21 117.71 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.19 135.67 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -85.69 31.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.473 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 31.9 t -134.16 -61.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.409 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 10.2 p -111.09 22.47 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.544 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 3.0 t 41.29 41.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.569 ' CE2' HG11 ' A' ' 73' ' ' VAL . 19.2 t80 -91.33 94.54 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' HB ' ' NE2' ' A' ' 65' ' ' GLN . 9.7 p -97.02 118.55 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.569 HG11 ' CE2' ' A' ' 71' ' ' PHE . 35.0 m -140.5 154.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' VAL . 33.6 m80 -35.69 144.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -39.24 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -37.31 58.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 18.2 m -59.72 -21.5 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.499 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.75 -71.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 8.4 pt-20 -42.91 -38.87 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.462 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 76.7 m-85 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' ' 80' ' ' PHE . 93.9 t -35.71 103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -91.89 -30.52 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 34.0 t80 -49.93 142.97 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.08 119.52 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.1 t -45.39 133.99 5.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.6 Cg_endo -69.79 -41.63 4.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.473 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.35 -64.08 2.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . -36.6 138.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.38 -126.65 31.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -91.38 172.56 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . 164.8 118.03 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.81 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . 7.2 tp60 -73.91 143.0 45.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' GLN . 73.6 p -37.4 144.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ASP . 1.8 m-20 -81.71 43.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 98' ' ' ARG . 3.5 p-10 -37.88 136.81 0.75 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 8.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 96' ' ' ASP . 17.1 tpp180 -57.41 121.01 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -142.37 137.35 30.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -149.31 140.32 22.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -41.19 145.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -113.53 94.56 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -61.47 90.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 105' ' ' LEU . 25.1 ptt180 -83.68 -41.65 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.466 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.0 m -98.51 120.16 38.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -69.53 -53.3 19.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.26 58.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -118.33 96.16 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 t -90.9 100.91 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.29 -177.5 48.3 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 14.1 m-70 -57.37 174.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -78.02 44.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 53.0 m-85 -51.11 134.47 26.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -138.55 123.59 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.66 122.42 12.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -155.09 137.88 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -68.93 150.34 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.61 101.51 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -48.5 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -93.55 162.61 27.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.92 3.21 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' HG11 ' A' ' 72' ' ' VAL . 25.8 m -89.64 150.9 22.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 23.3 t80 -102.46 126.72 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -77.79 113.46 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -80.76 37.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -133.24 -48.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -119.83 24.66 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.563 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 47.1 p 37.93 47.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.18 163.45 27.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -78.54 149.99 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.587 HG12 ' CD2' ' A' ' 74' ' ' HIS . 68.1 mt -100.16 -44.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -55.65 -51.15 68.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 49.55 -100.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.4 tt -118.8 -42.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.14 63.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -137.47 162.65 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.33 165.15 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.12 -161.75 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.8 mt -138.73 117.74 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' OE1' ' C ' ' A' ' 70' ' ' SER . 4.6 tp-100 -94.74 143.41 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.403 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.5 t -89.22 133.63 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -84.95 32.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.6 t -135.0 -64.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.7 p -110.67 25.36 11.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.454 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 76.6 p 41.26 37.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE2' HG11 ' A' ' 73' ' ' VAL . 66.4 t80 -91.35 101.58 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.463 HG11 ' CG2' ' A' ' 47' ' ' THR . 6.4 p -105.09 137.13 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG11 ' CE2' ' A' ' 71' ' ' PHE . 35.1 m -153.05 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.587 ' CD2' HG12 ' A' ' 56' ' ' ILE . 36.2 m80 -35.44 153.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -57.17 -38.14 73.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.421 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -75.66 -39.79 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 35.4 m -60.55 -33.54 72.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.642 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -38.45 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 16.8 pt-20 -44.77 -45.59 10.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.432 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 35.7 m-85 -56.74 -39.78 74.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 80' ' ' PHE . 89.2 t -35.69 115.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -96.95 -51.02 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 33.1 t80 -43.48 145.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 6.0 mm-40 -95.18 152.36 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.426 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 11.7 t -76.88 133.86 69.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -52.24 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -57.86 -60.44 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.68 -48.26 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.58 146.11 36.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -107.75 111.02 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . 159.89 -108.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' GLN . 53.7 Cg_endo -69.73 19.15 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.504 ' H ' ' C ' ' A' ' 91' ' ' GLY . 4.2 tm0? -33.49 -58.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -141.91 148.39 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.43 154.41 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.456 ' C ' ' H ' ' A' ' 98' ' ' ARG . 48.7 m-20 -39.15 137.91 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 11.78 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.456 ' H ' ' C ' ' A' ' 96' ' ' ASP . 28.8 ptt180 -46.69 126.14 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -145.2 176.39 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -107.75 139.13 42.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -74.02 165.69 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -113.44 165.74 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -116.64 176.29 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -75.13 154.27 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' CD2' ' C ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' SER . 24.7 m -100.32 125.5 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 110.827 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 89.1 p 36.5 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.08 -49.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -79.79 152.37 29.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 m -86.36 135.31 33.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.86 -168.89 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -79.89 169.84 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -78.93 44.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 42.0 m-85 -50.28 123.72 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 t -138.49 124.43 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.41 135.53 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -152.0 147.77 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -82.0 128.36 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -118.05 107.5 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.02 -29.39 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -107.91 159.09 31.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.2 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' A' ' 48' ' ' PHE . 25.6 m -54.96 167.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 54' ' ' ASP . 37.3 t80 -117.25 142.52 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 43.2 t -86.68 116.75 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -82.82 19.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -115.72 -52.86 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.9 p -116.86 32.36 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.0 p 31.76 54.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 14.5 m-20 -123.35 -173.14 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -121.58 134.24 55.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.582 HG12 ' CD2' ' A' ' 74' ' ' HIS . 16.1 mt -99.47 78.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -148.68 159.32 44.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.58 -133.92 11.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.72 142.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.24 61.46 7.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.38 90.95 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -137.96 117.48 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -141.89 136.11 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 10.3 mt -114.53 114.5 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -101.57 130.04 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.41 ' C ' ' H ' ' A' ' 68' ' ' VAL . 26.3 t -72.77 125.82 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 17.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.41 ' H ' ' C ' ' A' ' 66' ' ' CYS . 41.5 t -119.18 -57.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' PHE . 18.2 p -115.05 30.12 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' CYS . 52.6 p 37.63 32.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.551 ' CE2' HG12 ' A' ' 73' ' ' VAL . 72.0 t80 -85.62 101.08 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' LEU . 8.5 p -109.39 125.75 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.551 HG12 ' CE2' ' A' ' 71' ' ' PHE . 30.4 m -143.5 155.61 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.582 ' CD2' HG12 ' A' ' 56' ' ' ILE . 28.5 m80 -34.8 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.512 ' O ' ' NE ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -58.66 -39.33 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -77.63 -43.46 31.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 81' ' ' VAL . 20.6 m -51.0 -34.45 29.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.433 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -42.62 -62.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.02 -28.74 67.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -77.7 -24.55 49.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 77' ' ' CYS . 47.0 t -48.64 144.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.443 HG21 ' N ' ' A' ' 83' ' ' PHE . 7.6 t -120.5 -38.2 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' N ' HG21 ' A' ' 82' ' ' THR . 52.4 t80 -47.16 155.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.03 124.87 50.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.0 t -52.11 133.88 40.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.29 8.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.25 -67.59 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -38.94 130.14 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -151.3 17.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -121.27 100.41 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.32 120.31 4.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 154.83 67.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -93.76 132.45 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.3 t -75.76 164.33 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.66 166.16 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 98' ' ' ARG . 6.1 m-20 -77.55 146.18 72.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 8.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 96' ' ' ASP . 44.0 mtt-85 -47.08 150.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -149.87 173.68 13.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -117.89 161.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -50.52 -178.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.69 161.89 18.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -146.38 157.03 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -142.73 150.34 39.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.1 p -102.6 158.03 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -62.18 -59.86 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.62 141.97 13.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.0 m -105.1 107.88 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.378 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -67.79 146.91 53.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.42 -157.24 37.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.584 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.6 m-70 -89.08 176.6 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 0.0 110.805 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -87.13 62.21 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.584 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 85.6 m-85 -66.66 159.62 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -158.06 118.37 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.77 122.76 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -148.75 121.03 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -53.26 121.4 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.51 135.29 43.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -99.24 -40.48 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.26 161.28 28.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.73 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.471 ' CG2' HG11 ' A' ' 72' ' ' VAL . 32.9 m -58.85 145.81 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 58.1 t80 -96.53 134.58 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.37 112.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -79.95 37.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -134.9 -53.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.2 p -115.44 28.89 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 31.1 m 34.2 53.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -123.41 -179.13 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.52 ' CD2' ' HB3' ' A' ' 57' ' ' TRP . 5.7 p90 -117.21 129.39 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.571 HG12 ' CD2' ' A' ' 74' ' ' HIS . 17.8 mt -87.49 83.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.52 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 53.2 t-105 -150.7 138.31 19.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 164.91 -150.15 17.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 59' ' ' ILE . 4.8 mp -101.58 110.6 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.147 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.48 37.02 69.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.65 139.03 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -138.11 170.92 15.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -129.43 160.55 22.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.2 118.39 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -100.77 137.41 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.408 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.9 t -79.52 134.41 36.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -88.06 32.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 29.6 t -134.94 -60.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 12.7 p -113.77 24.69 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m 44.84 29.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 65.9 t80 -83.64 102.22 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.471 HG11 ' CG2' ' A' ' 47' ' ' THR . 5.4 p -106.69 136.23 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' HIS . 20.3 m -156.21 152.28 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.6 m80 -34.76 152.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -58.12 -42.6 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -74.46 -45.76 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 22.7 m -48.23 -33.64 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -39.94 -68.54 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 5.0 pt-20 -50.64 -36.12 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.477 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.9 m-85 -68.18 -35.93 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.3 t -43.77 138.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 83' ' ' PHE . 9.6 t -113.83 -43.03 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.458 ' N ' HG22 ' A' ' 82' ' ' THR . 18.4 t80 -45.95 136.94 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.05 143.95 26.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 t -65.2 130.13 94.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -37.47 9.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -84.8 -53.93 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.2 123.81 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.46 -157.72 16.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -89.66 -57.91 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . 97.63 117.22 3.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.48 ' H ' ' C ' ' A' ' 91' ' ' GLY . 4.8 tt0 -47.93 147.76 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.2 t -44.13 120.78 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -143.77 170.48 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -114.45 80.21 5.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.564 0.697 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -97.59 173.16 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -121.83 -58.47 1.74 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -70.27 96.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' LYS . 2.0 t-160 -117.44 -48.39 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' HIS . 32.5 tttt -37.34 147.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.9 164.14 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.414 ' C ' HD12 ' A' ' 105' ' ' LEU . 56.8 mtt180 -96.56 168.32 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.414 HD12 ' C ' ' A' ' 104' ' ' ARG . 10.6 mp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' GLY . 15.8 m -36.29 107.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 p -121.77 120.23 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 -156.95 9.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -115.66 102.58 9.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -91.54 -46.35 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.53 -155.41 22.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.436 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 45.9 m-70 -89.99 164.25 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -82.34 68.19 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -72.5 133.11 44.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -139.35 140.12 37.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.54 116.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 43' ' ' PHE . 3.5 tpp180 -132.31 130.82 41.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.31 137.32 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 41' ' ' ARG . 17.9 m-85 -137.17 110.93 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -68.48 -40.93 80.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 1.2 pt20 -97.56 156.51 36.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.7 Cg_endo -69.74 87.03 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 m -56.38 152.86 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.556 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 35.8 t80 -92.96 121.49 34.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.421 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 45.6 t -75.43 117.69 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.4 t -81.3 38.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.421 ' HB3' ' SG ' ' A' ' 49' ' ' CYS . 33.4 t60 -134.72 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.5 p -120.29 28.76 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.556 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 41.7 p 34.65 50.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.414 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 7.4 m-20 -128.87 153.41 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -72.85 156.59 38.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.49 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.8 mt -120.43 95.55 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -149.37 158.29 44.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.67 164.16 10.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.6 mt -67.3 109.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.0 156.18 9.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.1 mtpp -81.6 92.68 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.6 tp60 -107.3 -10.72 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.69 114.01 4.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt -114.31 115.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.45 121.0 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.34 130.75 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -83.78 29.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 36.6 t -132.27 -63.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 p -109.16 26.04 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.61 28.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CE2' HG11 ' A' ' 73' ' ' VAL . 88.4 t80 -80.92 105.58 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -105.64 128.67 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.556 HG11 ' CE2' ' A' ' 71' ' ' PHE . 35.5 m -153.09 155.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.49 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.2 m80 -38.28 159.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' GLN . 7.7 ttt85 -63.25 -44.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 14.7 ptt180 -74.31 -42.93 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 27.8 m -50.81 -29.19 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.05 -61.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 4.4 pt-20 -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.439 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 m-85 -67.4 -38.83 85.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -43.37 117.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 p -92.04 -32.46 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.49 140.13 47.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.04 139.27 30.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.436 ' HA ' ' CE1' ' A' ' 36' ' ' HIS . 8.7 t -59.92 133.61 89.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.69 -62.43 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.66 -47.02 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.38 -137.49 9.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 91' ' ' GLY . 1.2 tmtp? -74.69 134.24 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -160.19 -176.01 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.61 63.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.85 -58.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -129.86 86.11 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.32 151.86 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -98.27 109.16 51.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -50.64 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -149.56 137.74 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.03 151.43 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -99.79 136.06 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -144.37 159.09 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 167.96 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -57.87 176.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 104' ' ' ARG . 4.3 tmm_? -147.17 152.12 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -127.67 -46.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.4 m -92.13 163.79 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.84 -64.06 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 m -138.72 170.85 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -105.28 117.39 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.51 -173.68 21.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.572 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.4 m-70 -80.8 177.67 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -85.39 42.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 65.7 m-85 -53.06 151.23 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -171.54 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.1 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.25 137.92 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.82 91.21 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -93.19 133.82 36.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -99.75 -38.93 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -92.75 160.29 34.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 92.77 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.48 HG21 ' N ' ' A' ' 48' ' ' PHE . 17.2 m -75.05 156.79 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' N ' HG21 ' A' ' 47' ' ' THR . 15.4 t80 -108.04 149.66 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.47 112.21 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.562 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 7.0 t -82.52 36.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -132.8 -48.57 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.54 23.95 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.3 m 37.71 42.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -124.53 169.35 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.05 147.68 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.453 HG12 ' CD2' ' A' ' 74' ' ' HIS . 74.8 mt -97.05 -43.55 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -64.72 176.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.49 -120.94 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.449 HG13 ' N ' ' A' ' 60' ' ' GLY . 6.8 pt -80.97 -25.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.449 ' N ' HG13 ' A' ' 59' ' ' ILE . . . 162.64 41.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -105.0 136.74 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -120.08 151.25 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.71 164.69 12.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 24.2 mt -103.18 120.99 41.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.556 ' NE2' ' C ' ' A' ' 70' ' ' SER . 21.1 tp60 -96.67 121.51 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 t -70.94 136.39 48.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -90.82 32.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.39 -61.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.9 p -110.09 19.64 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.556 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 6.7 t 48.36 34.99 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.584 ' CE2' HG11 ' A' ' 73' ' ' VAL . 24.4 t80 -86.78 101.11 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.412 ' HB ' ' CD ' ' A' ' 65' ' ' GLN . 9.1 p -103.16 117.98 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.584 HG11 ' CE2' ' A' ' 71' ' ' PHE . 28.2 m -143.11 154.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.453 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.9 m170 -35.98 154.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -59.93 -48.14 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 10.9 ptp180 -68.85 -39.55 79.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 21.2 m -55.42 -40.17 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.541 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.55 -71.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 6.9 pt-20 -48.89 -36.43 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.463 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.1 m-85 -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.8 t -42.35 119.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.0 p -89.48 -46.26 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 24.7 t80 -59.29 134.89 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 9.9 tt0 -84.26 166.39 17.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.11 132.42 67.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.91 5.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.61 -56.51 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.48 78.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.324 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 40.63 65.02 1.08 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -87.51 95.05 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.07 -133.2 6.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.98 15.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.47 157.92 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.0 m -137.89 142.65 40.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.36 134.97 57.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 98' ' ' ARG . 4.5 m-20 -54.36 115.84 9.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.605 0.716 . . . . 0.0 110.864 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.281 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' H ' ' C ' ' A' ' 96' ' ' ASP . 30.9 mmm-85 -66.33 120.33 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.839 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 100' ' ' LYS . 24.0 p30 -149.44 171.31 16.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 99' ' ' ASN . 55.7 mmtt -36.4 120.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -98.3 168.09 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -89.39 165.76 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -108.93 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -112.08 176.09 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.414 HD21 ' C ' ' A' ' 105' ' ' LEU . 3.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 p -107.43 102.47 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -169.58 156.65 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.69 -48.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -66.74 -44.6 81.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -87.58 116.5 25.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 152.85 0.95 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -83.91 178.38 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -79.28 43.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.9 m-85 -50.65 146.5 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.0 t -157.47 124.42 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.14 128.81 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -150.34 162.86 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -85.64 146.59 26.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -134.36 127.15 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -88.77 -45.37 9.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.19 153.72 54.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.58 ' HB2' ' CE3' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.78 86.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.485 ' CG2' HG11 ' A' ' 72' ' ' VAL . 45.8 m -65.35 153.18 41.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CE2' ' HA ' ' A' ' 53' ' ' THR . 16.5 t80 -108.78 148.06 31.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.28 110.24 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -79.72 38.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -134.14 -53.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.3 p -117.0 28.55 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.518 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 8.9 t 33.1 52.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.421 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 4.0 m-20 -130.22 161.38 31.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 37.2 p90 -75.31 158.2 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 HG12 ' CD2' ' A' ' 74' ' ' HIS . 70.2 mt -109.89 -41.08 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.58 ' CE3' ' HB2' ' A' ' 46' ' ' PRO . 22.3 p90 -63.31 154.36 31.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.11 -79.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mm -93.72 -48.0 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.2 -173.06 25.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -91.58 95.7 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -122.87 44.84 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.85 110.11 2.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.1 mt -90.44 125.11 35.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.713 0.292 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -106.14 147.91 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 32.8 t -92.68 133.01 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -83.95 29.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 32.7 t -133.39 -59.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.0 p -112.36 25.55 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' CYS . 5.1 m 36.83 37.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -89.97 101.89 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -99.45 135.15 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 74' ' ' HIS . 21.8 m -154.1 153.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.465 ' CD2' HG12 ' A' ' 56' ' ' ILE . 31.5 m170 -38.34 158.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -44.83 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 6.4 ptp180 -69.05 -42.01 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.437 ' O ' ' C ' ' A' ' 78' ' ' HIS . 72.6 m -56.56 -34.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.631 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 3.1 t-160 -35.03 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.1 pt-20 -47.01 -48.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 79' ' ' GLU . 45.9 m-85 -51.78 -44.5 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' PHE . 88.8 t -35.67 125.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.4 p -107.23 -44.4 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.04 141.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -91.47 138.98 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -61.58 133.6 93.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.07 5.67 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -86.36 -72.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -44.2 148.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.21 72.14 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -79.98 42.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.07 161.92 23.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -7.9 22.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -80.83 42.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.9 p -43.8 144.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.26 168.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 98' ' ' ARG . 5.5 m-20 -45.6 150.86 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 98' ' ' ARG . 54.0 Cg_endo -69.72 16.96 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.354 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.508 ' C ' ' O ' ' A' ' 97' ' ' PRO . 14.8 mtp-105 -28.04 117.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -68.51 169.37 11.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.29 178.14 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -37.95 156.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -48.67 162.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -106.74 178.52 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.466 ' HG2' ' N ' ' A' ' 105' ' ' LEU . 16.2 ttm180 -42.39 150.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 10.5 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 p -121.08 176.43 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 t 41.95 42.72 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.2 179.84 17.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.5 t -137.28 139.29 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.8 m -117.15 161.57 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.42 -172.75 18.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 13.7 m-70 -76.13 175.6 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -83.12 44.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 72.9 m-85 -51.23 148.59 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.42 ' C ' HD21 ' A' ' 64' ' ' LEU . 12.3 t -153.57 147.04 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.57 127.69 33.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 41' ' ' ARG . 15.4 ttm180 -150.71 143.26 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -75.02 125.98 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.12 106.8 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -38.48 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -92.18 153.65 43.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 85.6 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.408 ' CG2' ' H ' ' A' ' 48' ' ' PHE . 8.5 m -55.06 169.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.412 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 73.0 t80 -115.45 116.25 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.417 ' C ' ' H ' ' A' ' 51' ' ' HIS . 46.5 t -74.57 112.81 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.485 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.0 m -77.86 38.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 49' ' ' CYS . 9.5 t60 -134.84 -48.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.0 p -120.11 26.04 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' CYS . 54.6 p 36.26 51.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -125.92 171.57 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.13 151.77 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.574 HG12 ' CD2' ' A' ' 74' ' ' HIS . 18.0 mt -114.69 93.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -144.21 179.09 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.21 123.17 2.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.472 HD11 ' N ' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -39.42 136.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.21 -43.95 2.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' HE2' ' CD2' ' A' ' 74' ' ' HIS . 21.8 tttt -77.64 103.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -116.38 172.56 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.11 175.18 19.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 39' ' ' THR . 5.9 mt -128.95 111.29 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 12.1 tp60 -88.89 132.89 34.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -81.0 130.59 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -83.93 29.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.477 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 41.1 t -131.77 -59.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 p -115.37 27.02 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 m 41.19 31.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.571 ' CE1' ' CG1' ' A' ' 73' ' ' VAL . 48.2 t80 -87.95 106.94 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 7.8 p -108.39 139.5 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.571 ' CG1' ' CE1' ' A' ' 71' ' ' PHE . 31.0 m -159.92 150.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 56' ' ' ILE . 35.4 m80 -39.8 161.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -62.49 -37.62 86.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.464 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptm85 -73.32 -44.47 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 57.9 m -60.61 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.604 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -46.58 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -48.68 -47.94 40.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -50.39 -42.35 53.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 75.6 t -39.58 118.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -96.53 -39.25 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 36.2 t80 -42.98 157.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -110.49 123.18 49.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 6.5 t -48.76 133.83 14.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.674 0.75 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.27 16.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.477 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -87.51 -55.02 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.72 105.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.47 151.86 9.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -42.18 126.07 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.44 170.5 26.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -24.11 29.89 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.91 122.87 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -58.75 102.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.57 160.03 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.98 107.43 22.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.698 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.9 34.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.07 140.81 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -123.22 163.45 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -40.11 116.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -51.82 134.64 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -126.27 162.48 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.85 169.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -75.86 170.8 15.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.405 HD11 ' C ' ' A' ' 105' ' ' LEU . 4.1 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 m -83.76 142.54 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -46.03 -62.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.88 71.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -145.81 110.23 5.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 m -95.33 148.04 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.87 166.66 14.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.432 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.2 m-70 -55.01 172.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -79.04 69.95 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.432 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 61.8 m-85 -79.47 139.45 37.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 t -149.33 121.44 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.97 125.02 19.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -147.89 167.1 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.04 134.04 34.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -117.09 125.22 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -79.76 -40.97 27.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -100.72 154.92 36.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 79.0 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.433 ' CG2' HG13 ' A' ' 72' ' ' VAL . 6.5 m -49.13 156.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 54' ' ' ASP . 13.4 t80 -112.86 143.85 43.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.7 t -87.44 109.85 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -80.42 38.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.495 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 11.7 t60 -134.7 -48.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.59 19.97 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.3 m 41.94 52.61 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 51.0 m-20 -128.47 166.48 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.09 139.29 34.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.551 HG12 ' CD2' ' A' ' 74' ' ' HIS . 12.2 mt -100.32 70.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.6 t-105 -150.65 148.1 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.41 -144.52 14.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -48.47 -62.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.97 114.59 3.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.07 92.52 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -115.82 107.75 15.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.22 124.85 2.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.8 mt -106.79 115.2 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -99.48 144.21 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -84.69 135.14 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -85.04 29.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.458 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 36.2 t -134.37 -59.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.419 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 24.3 p -111.73 25.65 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.6 p 39.95 32.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.512 ' CE2' HG11 ' A' ' 73' ' ' VAL . 91.0 t80 -84.68 109.97 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.433 HG13 ' CG2' ' A' ' 47' ' ' THR . 9.7 p -106.82 140.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.512 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.7 m -157.95 151.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.551 ' CD2' HG12 ' A' ' 56' ' ' ILE . 32.0 m80 -43.04 167.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -67.61 -48.16 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptp180 -70.51 -41.27 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.429 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 30.4 m -53.44 -29.27 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -40.59 -68.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -49.48 -42.22 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.495 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 61.5 m-85 -59.25 -38.14 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PHE . 92.7 t -37.64 117.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.0 p -100.93 -47.16 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 44.5 t80 -42.97 151.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 8.2 mm-40 -104.26 132.45 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.37 133.71 70.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.419 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -85.89 -72.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -39.41 143.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.2 -111.58 1.83 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.44 129.55 55.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.35 80.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.99 30.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -136.21 148.86 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 p -149.74 171.08 17.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.18 136.75 37.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 98' ' ' ARG . 3.0 p30 -126.74 141.45 40.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 10.7 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' H ' ' C ' ' A' ' 96' ' ' ASP . 11.9 ttt-85 -69.51 90.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -84.23 174.86 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -39.48 119.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -55.77 117.67 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -40.69 127.47 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -82.82 135.3 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -45.39 144.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -66.7 -55.49 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 p -50.31 154.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.42 87.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.8 p -116.31 104.97 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 m -154.3 172.56 17.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.5 -166.96 29.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -82.59 164.37 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -80.19 75.4 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.4 m-85 -78.7 133.51 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -135.5 115.17 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.12 128.25 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.16 128.91 9.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.48 ' CE2' ' HE3' ' A' ' 61' ' ' LYS . 8.3 m-85 -56.92 136.75 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -120.63 125.15 47.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.51 -39.94 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.81 153.95 37.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.77 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.479 HG22 ' N ' ' A' ' 48' ' ' PHE . 24.7 m -55.61 162.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 47.1 t80 -107.91 123.25 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.419 ' C ' ' H ' ' A' ' 51' ' ' HIS . 28.1 t -77.34 114.62 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -79.99 34.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.419 ' H ' ' C ' ' A' ' 49' ' ' CYS . 16.4 t60 -134.5 -42.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 53' ' ' THR . 27.8 p -122.78 28.7 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p 30.65 43.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -125.37 156.61 38.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -85.78 140.12 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.487 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.2 mt -92.44 79.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 70.0 t-105 -150.12 166.81 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' ILE . . . 84.8 -91.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' GLY . 15.4 tt -33.26 -42.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 156.07 -176.6 33.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.48 ' HE3' ' CE2' ' A' ' 42' ' ' PHE . 31.6 mtmm -84.09 78.47 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -116.27 46.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.53 107.15 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -106.04 109.98 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.702 0.286 . . . . 0.0 110.925 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -92.12 141.41 28.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.3 t -83.88 131.99 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.16 31.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.498 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.9 t -133.72 -59.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.435 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.5 p -115.18 26.62 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 m 43.0 30.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' CE2' HG12 ' A' ' 73' ' ' VAL . 33.2 t80 -84.72 102.5 13.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.3 p -107.67 131.93 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.442 HG12 ' CE2' ' A' ' 71' ' ' PHE . 27.3 m -150.75 153.14 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.487 ' CD2' HG12 ' A' ' 56' ' ' ILE . 49.2 m80 -39.06 159.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.9 mtt180 -60.48 -50.5 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 3.0 ptt-85 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 34.3 m -57.43 -31.94 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -43.13 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.486 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 9.4 pt-20 -44.88 -40.06 5.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.486 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 39.8 m-85 -62.62 -36.19 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.7 t -38.52 133.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.6 p -117.64 -42.99 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -43.24 140.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -90.8 120.1 31.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.28 133.83 12.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.423 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.4 Cg_endo -69.76 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.498 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -69.87 -66.45 2.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.46 147.69 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.74 -157.47 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -97.27 143.03 28.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -126.74 -166.11 12.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 178.71 4.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.33 147.21 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.429 HG23 ' N ' ' A' ' 95' ' ' ASP . 26.3 m -49.15 142.49 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.429 ' N ' HG23 ' A' ' 94' ' ' THR . 20.2 t70 -140.48 153.96 46.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 8.0 m-20 -105.44 99.98 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 96' ' ' ASP . 53.9 Cg_endo -69.78 -27.13 26.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -89.81 40.18 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -55.67 -35.25 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 166.0 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -104.51 153.91 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -75.79 155.62 35.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -142.06 174.37 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -109.12 140.61 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.3 tt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -81.77 108.69 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.9 p -96.48 41.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.76 -171.62 37.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . 88.1 p -80.63 45.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' SER . 74.1 m -35.2 139.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.11 166.13 23.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -63.04 174.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -91.53 82.76 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 78.0 m-85 -83.16 147.82 27.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.9 t -147.7 121.61 9.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.23 129.19 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -152.42 139.82 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.94 127.14 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -109.94 100.33 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -62.19 -39.64 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 5.5 mm100 -98.83 161.49 24.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 53.4 Cg_endo -69.77 115.47 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.467 ' CG2' HG13 ' A' ' 72' ' ' VAL . 7.1 m -89.26 166.19 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.495 ' CE1' ' HA ' ' A' ' 53' ' ' THR . 27.6 t80 -119.08 146.63 44.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -95.03 109.49 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 p -80.26 39.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -134.91 -53.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.7 p -112.53 23.6 13.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.495 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 25.1 m 35.21 50.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -130.95 161.76 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 57' ' ' TRP . 9.2 p90 -75.38 148.81 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.591 HG12 ' CD2' ' A' ' 74' ' ' HIS . 49.3 mt -100.26 -37.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.543 ' CZ3' ' HE2' ' A' ' 61' ' ' LYS . 40.8 t-105 -61.55 134.58 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.49 -139.82 6.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.35 93.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.36 166.98 31.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' HE2' ' CZ3' ' A' ' 57' ' ' TRP . 28.0 mmtp -117.99 92.12 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' HB3' ' CG ' ' A' ' 75' ' ' ARG . 58.3 mt-30 -121.92 90.21 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.93 109.25 0.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.477 ' CD1' ' HD2' ' A' ' 75' ' ' ARG . 18.1 mt -112.86 112.53 24.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -96.4 124.82 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.97 131.1 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -81.98 29.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.479 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 27.1 t -132.08 -58.2 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.472 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 6.3 p -114.1 22.86 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 32.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.561 ' CE2' HG13 ' A' ' 73' ' ' VAL . 26.2 t80 -83.92 104.09 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.467 HG13 ' CG2' ' A' ' 47' ' ' THR . 3.1 p -106.67 129.17 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.561 HG13 ' CE2' ' A' ' 71' ' ' PHE . 33.1 m -148.79 159.03 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.591 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.0 m80 -46.42 150.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.477 ' HD2' ' CD1' ' A' ' 64' ' ' LEU . 4.7 mmm180 -56.96 -21.74 32.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -87.7 -45.09 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.4 m -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.601 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.41 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 13.9 pt-20 -46.4 -45.13 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 81' ' ' VAL . 28.9 m-85 -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' PHE . 83.6 t -36.97 124.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 83' ' ' PHE . 6.9 t -110.03 -36.85 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 22.4 t80 -45.5 140.41 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 12.0 tt0 -84.82 137.08 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 9.1 t -65.53 133.3 95.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.472 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.76 -46.23 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.479 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.99 -51.77 6.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.68 122.14 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.75 -71.18 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' GLY . 43.5 tptt -104.96 88.88 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -34.8 100.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 134.89 29.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.14 111.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.7 p -141.37 148.4 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.48 88.22 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.479 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.1 p30 -60.64 115.5 13.98 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.77 15.45 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.479 ' H ' ' C ' ' A' ' 96' ' ' ASP . 38.7 ttp180 -33.03 146.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.38 143.25 57.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -60.38 160.2 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.65 125.02 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -54.32 161.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -113.64 131.97 55.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -47.77 164.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -162.12 115.22 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -42.22 139.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.07 59.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 t -155.72 147.63 23.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -107.95 146.21 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.21 177.96 20.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -55.81 174.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -87.7 76.16 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.468 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 26.4 m-85 -82.57 130.16 35.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -131.76 108.82 9.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . . . -42.93 122.99 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -154.61 134.22 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -65.6 143.45 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -117.61 123.71 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 45' ' ' GLN . 26.7 pttt -80.88 -40.12 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 37.3 mt-30 -94.23 157.48 37.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.5 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 48' ' ' PHE . 16.6 m -69.67 145.89 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' C ' ' A' ' 53' ' ' THR . 17.7 t80 -104.54 147.83 27.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.401 ' C ' ' H ' ' A' ' 51' ' ' HIS . 24.7 t -89.21 110.74 21.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -79.8 38.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.401 ' H ' ' C ' ' A' ' 49' ' ' CYS . 30.8 t60 -133.18 -52.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 22.5 p -112.68 23.73 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.48 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 9.8 t 38.13 49.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.425 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 35.5 m-20 -130.6 162.72 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -84.22 154.32 23.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.543 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.6 mt -104.21 -44.29 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.584 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -58.0 135.25 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.64 -113.33 0.75 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.2 tt -65.54 78.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.106 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.79 94.52 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.584 ' HD3' ' CE3' ' A' ' 57' ' ' TRP . 32.3 mtmt -57.29 112.16 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' HB3' ' CD ' ' A' ' 75' ' ' ARG . 8.1 mm-40 -149.0 111.81 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.99 147.29 17.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.435 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 22.1 mt -118.83 112.62 19.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.943 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -96.24 137.96 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.03 134.88 35.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.06 24.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -129.92 -59.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.3 p -112.99 29.38 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' CYS . 16.5 m 33.96 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.531 ' CE2' HG11 ' A' ' 73' ' ' VAL . 46.8 t80 -88.35 103.83 16.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.42 ' C ' HG13 ' A' ' 73' ' ' VAL . 8.7 p -104.29 131.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.531 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.2 m -152.07 151.52 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.543 ' CD2' HG12 ' A' ' 56' ' ' ILE . 26.3 m80 -41.3 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.448 ' CD ' ' HB3' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -63.02 -50.27 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 5.7 ptp180 -62.03 -32.28 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 78' ' ' HIS . 21.5 m -68.93 -42.86 76.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -36.75 -66.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 14.4 pt-20 -55.46 -49.12 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 76' ' ' ARG . 17.5 m-85 -51.58 -36.18 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.3 t -45.23 135.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.5 p -117.92 -43.39 2.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 84' ' ' GLU . 8.4 t80 -37.03 146.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 8.0 pt-20 -96.99 117.36 30.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.405 ' SG ' ' HD2' ' A' ' 86' ' ' PRO . 7.2 t -41.02 134.64 1.74 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.76 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.63 -46.92 22.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.17 -54.71 10.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.26 170.34 30.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -117.39 91.58 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.44 50.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 152.46 69.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -91.76 144.35 25.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -82.08 153.7 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.6 125.89 31.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.2 p-10 -45.59 120.42 4.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.9 Cg_endo -69.7 15.33 0.23 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 97' ' ' PRO . 7.8 ptp85 -30.11 142.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -108.66 -177.99 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -59.25 178.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.83 170.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -76.02 164.24 26.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 104' ' ' ARG . 34.3 t80 -87.92 175.57 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' CD2' ' A' ' 103' ' ' PHE . 2.0 ttt180 -53.59 169.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.427 ' C ' ' CD1' ' A' ' 105' ' ' LEU . 1.1 tm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.9 p -67.86 100.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 158.49 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -131.04 9.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -80.96 145.17 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -128.67 135.84 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 165.78 6.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.97 171.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -78.65 43.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CD2' ' CG ' ' A' ' 78' ' ' HIS . 47.0 m-85 -51.05 121.42 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.5 t -133.96 120.6 20.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.24 124.26 18.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -144.87 150.47 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.19 131.04 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CZ ' ' HD2' ' A' ' 41' ' ' ARG . 3.4 m-85 -117.94 151.5 37.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -114.36 -44.94 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.409 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 7.7 pt20 -94.11 155.11 40.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.5 Cg_endo -69.81 81.56 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.514 HG22 ' N ' ' A' ' 48' ' ' PHE . 32.4 m -50.32 160.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.514 ' N ' HG22 ' A' ' 47' ' ' THR . 6.3 t80 -104.87 125.76 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 51' ' ' HIS . 47.9 t -84.13 104.54 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -77.17 39.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . 0.433 ' H ' ' C ' ' A' ' 49' ' ' CYS . 19.6 t60 -133.94 -48.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 26.8 p -122.23 28.0 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 57.3 m 37.46 53.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.438 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 25.7 m-20 -135.18 160.17 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.48 148.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' A' ' 74' ' ' HIS . 63.2 mt -108.03 91.98 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -145.6 149.68 34.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 145.42 171.82 15.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.19 116.14 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.42 -79.15 0.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.03 130.0 38.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.6 175.26 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -99.57 138.7 14.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -95.99 114.28 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.411 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.15 142.08 28.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.5 t -88.4 136.25 33.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.68 30.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.462 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 40.0 t -133.17 -65.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 9.7 p -107.35 25.04 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.51 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CE2' HG12 ' A' ' 73' ' ' VAL . 65.8 t80 -83.78 106.84 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.411 ' HB ' ' CD ' ' A' ' 65' ' ' GLN . 7.3 p -113.96 127.66 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG12 ' CE2' ' A' ' 71' ' ' PHE . 27.1 m -145.25 153.75 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.576 ' CD2' HG12 ' A' ' 56' ' ' ILE . 34.7 m80 -34.31 152.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 30.6 ttt180 -53.51 -48.31 69.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 26.9 ptt-85 -69.24 -50.54 46.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.435 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 20.4 m -41.47 -39.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.511 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -41.09 -71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.82 -38.53 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.4 ' HB2' ' O ' ' A' ' 77' ' ' CYS . 24.6 m-85 -69.04 -35.84 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.401 ' HB ' ' O ' ' A' ' 78' ' ' HIS . 76.2 t -41.67 132.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -114.54 -44.06 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -43.1 122.38 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -73.6 133.85 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.19 133.62 84.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -52.57 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.462 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -66.07 -89.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.431 ' C ' ' O ' ' A' ' 87' ' ' GLY . . . -33.79 150.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.73 124.69 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -113.0 85.92 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.85 -108.56 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.37 50.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -50.26 139.15 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -122.34 146.44 47.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -103.43 81.18 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.496 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.3 p-10 -136.52 154.71 76.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' ARG . 54.2 Cg_endo -69.73 20.52 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.496 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.7 ptm180 -32.86 150.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -64.72 120.76 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -55.25 116.67 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -123.11 143.34 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -63.25 138.34 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.72 177.18 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -128.09 156.13 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.401 HD21 ' C ' ' A' ' 105' ' ' LEU . 5.0 tt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 35.9 m-70 -84.6 176.61 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -82.01 40.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 69.7 m-85 -50.46 137.02 19.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -162.52 130.62 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.15 127.15 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -149.87 122.55 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -51.8 139.51 21.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -123.36 88.75 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.48 -27.87 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.437 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 43.3 mt-30 -107.23 160.14 27.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 92.62 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.466 ' CG2' HG11 ' A' ' 72' ' ' VAL . 21.5 m -64.73 150.21 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 4.9 t80 -123.74 117.14 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.01 121.46 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.8 t -95.34 43.36 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -134.51 -60.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.67 -13.69 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 53' ' ' THR . 11.0 m 71.61 47.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -132.41 171.47 13.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -87.34 158.95 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -114.81 112.95 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.13 135.11 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.62 133.3 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -85.99 27.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 25.5 t -129.61 -59.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 18.6 p -112.29 23.11 14.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 40.69 38.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.464 ' CE2' HG11 ' A' ' 73' ' ' VAL . 32.2 t80 -96.22 98.21 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -96.49 128.69 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.464 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 m -140.62 143.95 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.584 ' CD2' HG12 ' A' ' 56' ' ' ILE . 67.0 m80 -40.26 161.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -54.74 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 17.6 ptt180 -71.2 -38.35 72.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.745 ' O ' HG23 ' A' ' 81' ' ' VAL . 57.7 m -59.98 -33.2 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -45.81 -64.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 12.7 pt-20 -57.86 -43.44 85.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.476 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 15.3 m-85 -55.63 -39.24 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 77' ' ' CYS . 77.3 t -39.18 134.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -119.64 -28.84 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 24.2 t80 -53.23 149.56 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -98.31 115.67 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.07 133.88 7.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 Cg_endo -69.75 -29.07 24.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.454 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -102.6 -48.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 9.3 m-70 -75.66 171.7 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -78.52 81.46 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 36' ' ' HIS . 62.9 m-85 -93.58 154.34 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -147.59 111.68 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . . . -47.97 121.17 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -153.34 146.41 24.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -77.48 131.48 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.81 122.94 46.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -38.32 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -95.13 152.73 39.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.13 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.58 HG22 ' N ' ' A' ' 48' ' ' PHE . 18.5 m -77.23 166.64 22.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' N ' HG22 ' A' ' 47' ' ' THR . 33.3 t80 -117.65 132.21 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -80.04 116.78 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.4 m -86.01 39.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -134.26 -52.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.5 14.58 21.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 m 44.15 54.14 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -137.22 165.05 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.82 155.27 33.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 74' ' ' HIS . 40.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 18.7 mt -123.38 120.02 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.38 145.36 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.6 t -88.13 129.23 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -86.98 26.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.628 HG23 ' HB3' ' A' ' 37' ' ' LYS . 37.9 t -126.68 -48.71 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.9 21.86 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m 47.94 25.05 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CE2' HG11 ' A' ' 73' ' ' VAL . 70.2 t80 -86.24 107.54 17.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' C ' HG13 ' A' ' 73' ' ' VAL . 4.1 p -107.94 144.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.498 HG11 ' CE2' ' A' ' 71' ' ' PHE . 17.5 m -157.11 150.6 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.8 m80 -41.88 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -60.34 -47.64 85.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -68.17 -30.8 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' HIS . 35.1 m -69.28 -39.23 78.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -33.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 11.0 pt-20 -52.54 -45.87 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -53.01 -33.42 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.6 t -41.31 136.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.7 p -115.39 -47.07 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -45.8 135.38 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -82.77 139.9 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.583 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.5 t -66.66 133.76 94.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -68.55 -58.97 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.8 m-70 -54.02 173.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -89.74 73.15 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 68.2 m-85 -81.15 145.51 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -158.65 148.68 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 126.19 23.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -148.15 119.44 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -56.12 148.66 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -144.66 106.14 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -79.46 -24.41 42.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -99.44 157.39 34.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 81.91 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.49 ' HB ' HD12 ' A' ' 56' ' ' ILE . 4.8 m -46.19 159.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 47' ' ' THR . 51.1 t80 -121.74 108.63 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.0 t -61.4 125.92 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.586 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 73.3 m -97.48 28.98 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -124.69 -46.33 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.53 -1.32 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 53' ' ' THR . 51.8 m 61.5 54.88 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -144.23 168.41 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.23 152.53 26.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' A' ' 74' ' ' HIS . 60.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.38 126.4 26.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -110.59 148.61 31.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.9 t -90.71 121.32 32.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -72.83 2.55 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.72 -62.36 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 p -108.8 25.22 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m 40.95 27.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 61.6 t80 -87.27 118.77 26.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.2 p -118.55 149.29 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 72' ' ' VAL . 35.9 m -161.24 157.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.536 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.1 m80 -42.57 148.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.16 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.05 -45.68 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 81' ' ' VAL . 43.9 m -50.36 -20.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.536 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.1 -67.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.42 -29.22 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -73.79 -28.5 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 77' ' ' CYS . 49.4 t -46.02 118.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -111.22 0.74 16.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -83.55 133.11 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.65 129.11 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 8.6 t -63.9 133.8 95.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.98 17.5 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.64 -48.37 2.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.8 m-70 -89.98 174.15 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -80.93 42.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 59.8 m-85 -50.04 153.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -172.71 138.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 120.78 11.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -134.12 119.71 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -52.6 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -99.59 127.35 45.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -91.83 -41.36 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 6.5 pt20 -88.11 155.14 52.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.9 Cg_endo -69.77 79.97 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 48' ' ' PHE . 16.1 m -54.5 163.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 53' ' ' THR . 14.0 t80 -120.98 130.12 53.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.9 t -78.02 119.06 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -87.25 33.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -129.16 -46.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.3 p -123.02 26.94 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 9.7 t 34.52 55.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 6.9 m-20 -136.72 158.04 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -80.63 143.64 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.599 HG12 ' CD2' ' A' ' 74' ' ' HIS . 20.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.434 ' HA3' HG21 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.31 127.09 52.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -105.95 142.96 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.6 t -86.27 133.78 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -87.87 29.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.99 -64.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.4 p -107.44 22.8 15.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.38 27.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CE2' HG11 ' A' ' 73' ' ' VAL . 64.3 t80 -82.48 102.25 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 5.6 p -101.41 146.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 21.3 m -160.96 149.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.599 ' CD2' HG12 ' A' ' 56' ' ' ILE . 44.0 m80 -35.74 153.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -53.66 -45.2 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 22.0 ptt-85 -74.48 -44.24 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.621 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.7 m -49.24 -25.74 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -48.21 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 10.2 pt-20 -49.24 -38.32 26.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 50.9 m-85 -62.62 -35.86 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 77' ' ' CYS . 76.7 t -40.38 135.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.5 p -116.22 -45.17 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -40.98 148.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -99.41 125.5 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.645 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.1 t -52.6 133.74 45.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.6 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.645 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 13.3 m-70 -65.01 -178.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -80.58 42.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 71.4 m-85 -51.07 147.93 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -159.47 141.51 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.96 126.03 25.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -140.39 131.63 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -72.66 114.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.2 124.91 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.64 -44.94 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 8.6 mm100 -84.18 161.58 54.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 54.0 Cg_endo -69.76 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.1 m -55.84 147.36 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 40.5 t80 -108.6 127.25 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.63 113.16 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 3.6 t -79.21 39.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -134.45 -47.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.68 23.88 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 64.7 p 38.92 43.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.35 155.28 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -77.32 150.61 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.604 HG12 ' CD2' ' A' ' 74' ' ' HIS . 21.1 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.37 118.33 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -99.86 144.26 29.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 t -86.78 132.88 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.27 30.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.557 HG11 ' H ' ' A' ' 88' ' ' ALA . 15.9 t -134.81 -60.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 8.0 p -110.84 24.68 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.9 m 40.1 34.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 17.8 t80 -89.69 104.56 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.25 129.3 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.541 HG21 ' CG2' ' A' ' 81' ' ' VAL . 35.2 m -144.18 146.12 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CD2' HG12 ' A' ' 56' ' ' ILE . 42.0 m80 -38.38 158.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.35 -47.13 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.5 m -57.3 -30.9 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.696 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.9 t-80 -44.92 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -52.68 -42.72 65.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.64 -39.79 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 77' ' ' CYS . 89.7 t -39.29 113.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.5 p -97.33 -37.31 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 28.8 t80 -45.37 136.85 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -88.28 114.33 24.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 16.4 t -41.81 134.22 2.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.75 -26.31 27.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -100.75 -60.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 19.6 m-70 -61.54 179.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -97.31 52.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CB ' HD12 ' A' ' 64' ' ' LEU . 63.2 m-85 -58.85 166.15 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 39' ' ' THR . 2.7 t -158.59 105.3 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.75 111.66 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -137.4 135.68 37.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -49.08 150.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.92 91.71 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.85 -27.58 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -121.17 157.7 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 53.2 Cg_endo -69.79 131.54 21.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.644 HG22 ' H ' ' A' ' 48' ' ' PHE . 1.1 m -112.11 174.0 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.644 ' H ' HG22 ' A' ' 47' ' ' THR . 37.7 t80 -123.02 138.5 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.469 ' CA ' HD11 ' A' ' 56' ' ' ILE . 12.9 t -83.07 112.94 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.3 m -77.38 9.26 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -106.31 -54.12 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' THR . 31.2 p -107.95 22.84 15.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' CYS . 72.0 p 33.29 54.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.93 154.22 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 46' ' ' PRO . 2.4 t80 -64.89 154.11 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.469 HD11 ' CA ' ' A' ' 49' ' ' CYS . 72.5 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.74 HD12 ' CB ' ' A' ' 38' ' ' PHE . 3.9 mm? -111.33 97.0 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -93.02 111.15 22.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.81 132.26 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.67 29.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.865 HG11 ' H ' ' A' ' 88' ' ' ALA . 15.9 t -128.6 -69.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 5.1 p -97.8 5.38 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m 64.12 30.64 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 9.5 t80 -81.94 109.36 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.549 HG11 ' CG2' ' A' ' 47' ' ' THR . 9.2 p -107.98 119.4 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG11 ' CE2' ' A' ' 71' ' ' PHE . 20.0 m -143.86 146.32 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' NE2' HG12 ' A' ' 56' ' ' ILE . 37.8 m80 -39.88 158.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' HD21 ' A' ' 64' ' ' LEU . 2.2 tmm_? -66.48 -31.11 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.62 -18.43 54.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' HIS . 66.2 m -92.19 -30.33 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -34.24 -63.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.2 pt-20 -56.48 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' VAL . 25.9 m-85 -42.32 -49.9 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 80' ' ' PHE . 61.3 t -32.75 143.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.8 p -129.76 -34.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -45.99 127.33 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.82 133.09 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.05 133.71 95.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.471 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -93.23 -53.79 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.865 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -76.53 177.02 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -78.65 44.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 64' ' ' LEU . 53.4 m-85 -54.89 140.69 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 t -156.58 141.02 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.73 122.69 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -136.02 131.05 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.46 117.92 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.53 111.01 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -76.11 -34.16 59.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -103.99 161.73 22.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 90.22 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.71 ' HB ' HD12 ' A' ' 56' ' ' ILE . 3.5 m -59.13 147.18 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.38 136.38 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 t -90.48 118.16 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 37.2 m -84.17 25.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -122.05 -49.72 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' THR . 25.7 p -116.5 25.97 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 9.9 t 33.72 54.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.86 160.79 37.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -77.72 155.82 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.71 HD12 ' HB ' ' A' ' 47' ' ' THR . 28.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 38' ' ' PHE . 10.8 mt -120.83 120.87 36.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -90.15 137.54 32.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.3 t -85.24 130.92 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -85.54 27.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.445 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 44.8 t -129.63 -58.19 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 6.6 p -115.47 25.67 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m 44.57 25.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 25.5 t80 -81.74 100.89 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 47' ' ' THR . 6.2 p -106.84 124.46 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.3 m -142.34 153.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.6 ' CD2' HG12 ' A' ' 56' ' ' ILE . 39.0 m80 -40.32 158.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -60.78 -53.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 6.6 ptm180 -58.25 -33.61 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' VAL . 56.7 m -69.12 -36.65 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -36.16 -34.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 3.8 pt-20 -88.15 -40.06 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' CYS . 28.9 m-85 -61.57 -32.79 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 77' ' ' CYS . 64.5 t -42.91 120.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 t -100.03 -28.5 13.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 84' ' ' GLU . 11.7 t80 -64.7 135.39 55.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 7.2 mm-40 -87.92 138.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.7 t -59.15 131.77 87.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.739 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.417 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -67.01 -54.09 23.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 30.6 m-70 -54.05 176.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -81.26 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 57.6 m-85 -50.23 129.95 22.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -142.24 117.66 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.33 125.75 24.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -146.02 162.51 37.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 122.98 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -105.76 97.82 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -58.0 -44.1 87.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -102.43 154.16 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.57 HG21 HG21 ' A' ' 72' ' ' VAL . 52.2 m -91.44 154.77 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE1' ' C ' ' A' ' 54' ' ' ASP . 12.3 t80 -99.8 158.62 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -98.27 112.04 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t -82.09 37.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -134.14 -52.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.6 p -115.36 28.59 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 27.9 p 34.3 54.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' C ' ' CE1' ' A' ' 48' ' ' PHE . 44.8 m-20 -136.45 165.97 24.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -87.17 141.51 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 38' ' ' PHE . 17.7 mt -127.45 107.22 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -90.21 117.71 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.19 135.67 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -85.69 31.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 31.9 t -134.16 -61.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.422 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 10.2 p -111.09 22.47 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t 41.29 41.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 19.2 t80 -91.33 94.54 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 47' ' ' THR . 9.7 p -97.02 118.55 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' HIS . 35.0 m -140.5 154.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' VAL . 33.6 m80 -35.69 144.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -39.24 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -37.31 58.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.2 m -59.72 -21.5 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.499 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.75 -71.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 8.4 pt-20 -42.91 -38.87 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 76.7 m-85 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 77' ' ' CYS . 93.9 t -35.71 103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -91.89 -30.52 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 34.0 t80 -49.93 142.97 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.08 119.52 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 12.1 t -45.39 133.99 5.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.422 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.6 Cg_endo -69.79 -41.63 4.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.35 -64.08 2.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 14.1 m-70 -57.37 174.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -78.02 44.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 53.0 m-85 -51.11 134.47 26.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -138.55 123.59 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -56.66 122.42 12.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -155.09 137.88 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -68.93 150.34 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.61 101.51 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -48.5 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -93.55 162.61 27.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.92 3.21 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -89.64 150.9 22.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 23.3 t80 -102.46 126.72 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -77.79 113.46 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -80.76 37.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -133.24 -48.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -119.83 24.66 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 47.1 p 37.93 47.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.18 163.45 27.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -78.54 149.99 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG12 ' CD2' ' A' ' 74' ' ' HIS . 68.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 40' ' ' ALA . 11.8 mt -138.73 117.74 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' OE1' ' C ' ' A' ' 70' ' ' SER . 4.6 tp-100 -94.74 143.41 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.408 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.5 t -89.22 133.63 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -84.95 32.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.6 t -135.0 -64.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 22.7 p -110.67 25.36 11.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.454 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 76.6 p 41.26 37.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 66.4 t80 -91.35 101.58 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.09 137.13 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 81' ' ' VAL . 35.1 m -153.05 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.61 ' CD2' HG12 ' A' ' 56' ' ' ILE . 36.2 m80 -35.44 153.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -57.17 -38.14 73.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -75.66 -39.79 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 35.4 m -60.55 -33.54 72.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.642 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -38.45 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 16.8 pt-20 -44.77 -45.59 10.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 35.7 m-85 -56.74 -39.78 74.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 73' ' ' VAL . 89.2 t -35.69 115.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -96.95 -51.02 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 33.1 t80 -43.48 145.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 6.0 mm-40 -95.18 152.36 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 11.7 t -76.88 133.86 69.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -52.24 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -57.86 -60.44 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -79.89 169.84 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -78.93 44.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 42.0 m-85 -50.28 123.72 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 t -138.49 124.43 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.41 135.53 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -152.0 147.77 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -82.0 128.36 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -118.05 107.5 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.02 -29.39 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -107.91 159.09 31.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.2 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.617 HG22 ' N ' ' A' ' 48' ' ' PHE . 25.6 m -54.96 167.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.617 ' N ' HG22 ' A' ' 47' ' ' THR . 37.3 t80 -117.25 142.52 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 43.2 t -86.68 116.75 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -82.82 19.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.457 ' HB2' HG11 ' A' ' 73' ' ' VAL . 45.8 t-80 -115.72 -52.86 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.9 p -116.86 32.36 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.0 p 31.76 54.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 14.5 m-20 -123.35 -173.14 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -121.58 134.24 55.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.605 HG12 ' CD2' ' A' ' 74' ' ' HIS . 16.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 10.3 mt -114.53 114.5 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -101.57 130.04 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.3 t -72.77 125.82 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 17.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.5 t -119.18 -57.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 18.2 p -115.05 30.12 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' CYS . 52.6 p 37.63 32.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.428 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 72.0 t80 -85.62 101.08 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.481 HG11 ' CG2' ' A' ' 47' ' ' THR . 8.5 p -109.39 125.75 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 51' ' ' HIS . 30.4 m -143.5 155.61 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.605 ' CD2' HG12 ' A' ' 56' ' ' ILE . 28.5 m80 -34.8 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -58.66 -39.33 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -77.63 -43.46 31.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 81' ' ' VAL . 20.6 m -51.0 -34.45 29.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.433 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -42.62 -62.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.02 -28.74 67.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -77.7 -24.55 49.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 77' ' ' CYS . 47.0 t -48.64 144.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -120.5 -38.2 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -47.16 155.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.03 124.87 50.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 6.0 t -52.11 133.88 40.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.29 8.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.25 -67.59 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.6 m-70 -89.08 176.6 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 0.0 110.805 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -87.13 62.21 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 85.6 m-85 -66.66 159.62 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -158.06 118.37 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.77 122.76 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -148.75 121.03 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -53.26 121.4 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.51 135.29 43.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -99.24 -40.48 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.26 161.28 28.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.73 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.816 HG21 HG21 ' A' ' 72' ' ' VAL . 32.9 m -58.85 145.81 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 58.1 t80 -96.53 134.58 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.37 112.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -79.95 37.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -134.9 -53.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.2 p -115.44 28.89 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 31.1 m 34.2 53.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -123.41 -179.13 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -117.21 129.39 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 74' ' ' HIS . 17.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.2 118.39 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -100.77 137.41 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.412 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.9 t -79.52 134.41 36.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -88.06 32.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.475 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 29.6 t -134.94 -60.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.407 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 12.7 p -113.77 24.69 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m 44.84 29.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CE2' HG11 ' A' ' 73' ' ' VAL . 65.9 t80 -83.64 102.22 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.816 HG21 HG21 ' A' ' 47' ' ' THR . 5.4 p -106.69 136.23 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' HIS . 20.3 m -156.21 152.28 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.593 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.6 m80 -34.76 152.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -58.12 -42.6 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 14.4 ptt180 -74.46 -45.76 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.7 m -48.23 -33.64 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 79' ' ' GLU . 4.7 t60 -39.94 -68.54 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 5.0 pt-20 -50.64 -36.12 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.487 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.9 m-85 -68.18 -35.93 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 77' ' ' CYS . 90.3 t -43.77 138.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 83' ' ' PHE . 9.6 t -113.83 -43.03 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.44 ' N ' HG23 ' A' ' 82' ' ' THR . 18.4 t80 -45.95 136.94 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.05 143.95 26.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 t -65.2 130.13 94.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 54.1 Cg_endo -69.75 -37.47 9.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.475 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -84.8 -53.93 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 45.9 m-70 -89.99 164.25 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -82.34 68.19 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -72.5 133.11 44.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -139.35 140.12 37.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.54 116.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 43' ' ' PHE . 3.5 tpp180 -132.31 130.82 41.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.31 137.32 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 41' ' ' ARG . 17.9 m-85 -137.17 110.93 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -68.48 -40.93 80.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.461 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 1.2 pt20 -97.56 156.51 36.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.7 Cg_endo -69.74 87.03 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 m -56.38 152.86 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 35.8 t80 -92.96 121.49 34.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 45.6 t -75.43 117.69 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.4 t -81.3 38.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 49' ' ' CYS . 21.9 t-80 -134.72 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.5 p -120.29 28.76 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 41.7 p 34.65 50.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 7.4 m-20 -128.87 153.41 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -72.85 156.59 38.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.511 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt -114.31 115.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.45 121.0 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.34 130.75 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -83.78 29.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.46 HG11 ' H ' ' A' ' 88' ' ' ALA . 36.6 t -132.27 -63.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 p -109.16 26.04 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.61 28.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' HG11 ' A' ' 73' ' ' VAL . 88.4 t80 -80.92 105.58 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -105.64 128.67 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.725 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 35.5 m -153.09 155.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.511 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.2 m80 -38.28 159.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -63.25 -44.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 14.7 ptt180 -74.31 -42.93 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.638 ' O ' HG23 ' A' ' 81' ' ' VAL . 27.8 m -50.81 -29.19 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.05 -61.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 4.4 pt-20 -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.442 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 m-85 -67.4 -38.83 85.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 77' ' ' CYS . 97.6 t -43.37 117.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 p -92.04 -32.46 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.49 140.13 47.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.04 139.27 30.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 36' ' ' HIS . 8.7 t -59.92 133.61 89.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.69 -62.43 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.4 m-70 -80.8 177.67 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -85.39 42.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 65.7 m-85 -53.06 151.23 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -171.54 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.1 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.25 137.92 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.82 91.21 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -93.19 133.82 36.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -99.75 -38.93 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -92.75 160.29 34.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 92.77 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 48' ' ' PHE . 17.2 m -75.05 156.79 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' N ' HG22 ' A' ' 47' ' ' THR . 15.4 t80 -108.04 149.66 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.47 112.21 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 7.0 t -82.52 36.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.533 ' HB2' HG11 ' A' ' 73' ' ' VAL . 44.7 t60 -132.8 -48.57 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.54 23.95 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.595 ' O ' HG22 ' A' ' 53' ' ' THR . 25.3 m 37.71 42.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -124.53 169.35 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.05 147.68 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 74' ' ' HIS . 74.8 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 38' ' ' PHE . 24.2 mt -103.18 120.99 41.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.422 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 2.0 tp-100 -96.67 121.51 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 t -70.94 136.39 48.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -90.82 32.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.39 -61.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.9 p -110.09 19.64 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 6.7 t 48.36 34.99 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 24.4 t80 -86.78 101.11 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.1 p -103.16 117.98 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 51' ' ' HIS . 28.2 m -143.11 154.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.9 m170 -35.98 154.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -59.93 -48.14 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 10.9 ptp180 -68.85 -39.55 79.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 21.2 m -55.42 -40.17 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.541 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.55 -71.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 6.9 pt-20 -48.89 -36.43 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.471 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.1 m-85 -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.8 t -42.35 119.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.0 p -89.48 -46.26 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 24.7 t80 -59.29 134.89 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 9.9 tt0 -84.26 166.39 17.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.11 132.42 67.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.91 5.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.61 -56.51 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.324 . . . . 0.0 111.106 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -83.91 178.38 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -79.28 43.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 62.9 m-85 -50.65 146.5 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 39' ' ' THR . 9.0 t -157.47 124.42 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.14 128.81 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -150.34 162.86 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -85.64 146.59 26.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -134.36 127.15 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -88.77 -45.37 9.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.19 153.72 54.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.504 ' CG2' HG11 ' A' ' 72' ' ' VAL . 45.8 m -65.35 153.18 41.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 53' ' ' THR . 16.5 t80 -108.78 148.06 31.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.28 110.24 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -79.72 38.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -134.14 -53.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.3 p -117.0 28.55 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.513 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 8.9 t 33.1 52.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 4.0 m-20 -130.22 161.38 31.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -75.31 158.2 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 74' ' ' HIS . 70.2 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.1 mt -90.44 125.11 35.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.713 0.292 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -106.14 147.91 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 32.8 t -92.68 133.01 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -83.95 29.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.869 HG11 ' H ' ' A' ' 88' ' ' ALA . 32.7 t -133.39 -59.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.0 p -112.36 25.55 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' CYS . 5.1 m 36.83 37.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE2' HG11 ' A' ' 73' ' ' VAL . 49.8 t80 -89.97 101.89 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -99.45 135.15 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 71' ' ' PHE . 21.8 m -154.1 153.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 56' ' ' ILE . 31.5 m170 -38.34 158.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -65.73 -44.83 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 6.4 ptp180 -69.05 -42.01 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 72.6 m -56.56 -34.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 77' ' ' CYS . 0.6 OUTLIER -35.03 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.1 pt-20 -47.01 -48.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 79' ' ' GLU . 45.9 m-85 -51.78 -44.5 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' PHE . 88.8 t -35.67 125.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.4 p -107.23 -44.4 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.04 141.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -91.47 138.98 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -61.58 133.6 93.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.07 5.67 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -86.36 -72.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.869 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 13.7 m-70 -76.13 175.6 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -83.12 44.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 72.9 m-85 -51.23 148.59 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -153.57 147.04 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.57 127.69 33.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 41' ' ' ARG . 15.4 ttm180 -150.71 143.26 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -75.02 125.98 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.12 106.8 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -38.48 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -92.18 153.65 43.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 85.6 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.609 HG22 ' H ' ' A' ' 48' ' ' PHE . 8.5 m -55.06 169.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.609 ' H ' HG22 ' A' ' 47' ' ' THR . 73.0 t80 -115.45 116.25 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -74.57 112.81 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.0 m -77.86 38.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -134.84 -48.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.0 p -120.11 26.04 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' CYS . 54.6 p 36.26 51.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -125.92 171.57 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.13 151.77 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.592 HG12 ' CD2' ' A' ' 74' ' ' HIS . 18.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD11 ' HG2' ' A' ' 75' ' ' ARG . 5.9 mt -128.95 111.29 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 12.1 tp60 -88.89 132.89 34.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -81.0 130.59 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -83.93 29.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 41.1 t -131.77 -59.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 p -115.37 27.02 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 m 41.19 31.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 73' ' ' VAL . 48.2 t80 -87.95 106.94 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.8 p -108.39 139.5 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 71' ' ' PHE . 31.0 m -159.92 150.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' HG12 ' A' ' 56' ' ' ILE . 35.4 m80 -39.8 161.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.508 ' HG2' HD11 ' A' ' 64' ' ' LEU . 18.8 mtm180 -62.49 -37.62 86.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptm85 -73.32 -44.47 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.761 ' O ' HG23 ' A' ' 81' ' ' VAL . 57.9 m -60.61 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.604 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -46.58 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -48.68 -47.94 40.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -50.39 -42.35 53.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 77' ' ' CYS . 75.6 t -39.58 118.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -96.53 -39.25 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 36.2 t80 -42.98 157.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -110.49 123.18 49.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 6.5 t -48.76 133.83 14.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.674 0.75 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.27 16.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -87.51 -55.02 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 11.7 m80 -55.01 172.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -79.04 69.95 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 61.8 m-85 -79.47 139.45 37.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 t -149.33 121.44 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.97 125.02 19.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -147.89 167.1 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.04 134.04 34.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -117.09 125.22 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -79.76 -40.97 27.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -100.72 154.92 36.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 79.0 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.791 ' CG2' HG11 ' A' ' 72' ' ' VAL . 6.5 m -49.13 156.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 54' ' ' ASP . 13.4 t80 -112.86 143.85 43.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.7 t -87.44 109.85 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -80.42 38.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -134.7 -48.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.59 19.97 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 53' ' ' THR . 18.3 m 41.94 52.61 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 51.0 m-20 -128.47 166.48 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.09 139.29 34.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 74' ' ' HIS . 12.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.837 HD11 ' HD3' ' A' ' 75' ' ' ARG . 20.8 mt -106.79 115.2 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -99.48 144.21 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -84.69 135.14 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -85.04 29.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.641 HG11 ' H ' ' A' ' 88' ' ' ALA . 36.2 t -134.37 -59.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 24.3 p -111.73 25.65 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.6 p 39.95 32.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 73' ' ' VAL . 91.0 t80 -84.68 109.97 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.791 HG11 ' CG2' ' A' ' 47' ' ' THR . 9.7 p -106.82 140.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 33.7 m -157.95 151.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 56' ' ' ILE . 32.0 m80 -43.04 167.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.837 ' HD3' HD11 ' A' ' 64' ' ' LEU . 7.5 mmt180 -67.61 -48.16 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptp180 -70.51 -41.27 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 30.4 m -53.44 -29.27 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -40.59 -68.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -49.48 -42.22 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 77' ' ' CYS . 61.5 m-85 -59.25 -38.14 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PHE . 92.7 t -37.64 117.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.0 p -100.93 -47.16 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 44.5 t80 -42.97 151.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.475 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 8.2 mm-40 -104.26 132.45 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.37 133.71 70.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -85.89 -72.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.641 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -82.59 164.37 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -80.19 75.4 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.4 m-85 -78.7 133.51 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -135.5 115.17 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.12 128.25 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.16 128.91 9.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.92 136.75 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -120.63 125.15 47.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.51 -39.94 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.81 153.95 37.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.77 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.672 HG21 HG11 ' A' ' 72' ' ' VAL . 24.7 m -55.61 162.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 47.1 t80 -107.91 123.25 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.1 t -77.34 114.62 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -79.99 34.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -134.5 -42.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 53' ' ' THR . 27.8 p -122.78 28.7 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p 30.65 43.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -125.37 156.61 38.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -85.78 140.12 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 75' ' ' ARG . 11.3 mt -106.04 109.98 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.702 0.286 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -92.12 141.41 28.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.3 t -83.88 131.99 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.16 31.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.493 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.9 t -133.72 -59.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.5 p -115.18 26.62 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 m 43.0 30.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t80 -84.72 102.5 13.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.672 HG11 HG21 ' A' ' 47' ' ' THR . 8.3 p -107.67 131.93 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' HIS . 27.3 m -150.75 153.14 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CD2' HG12 ' A' ' 56' ' ' ILE . 49.2 m80 -39.06 159.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.499 ' HG2' HD11 ' A' ' 64' ' ' LEU . 32.9 mtt180 -60.48 -50.5 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 3.0 ptt-85 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 34.3 m -57.43 -31.94 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -43.13 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 9.4 pt-20 -44.88 -40.06 5.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.5 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 39.8 m-85 -62.62 -36.19 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.7 t -38.52 133.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.6 p -117.64 -42.99 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -43.24 140.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -90.8 120.1 31.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.28 133.83 12.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.434 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.4 Cg_endo -69.76 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.493 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -69.87 -66.45 2.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -63.04 174.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -91.53 82.76 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 78.0 m-85 -83.16 147.82 27.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 39' ' ' THR . 8.9 t -147.7 121.61 9.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.23 129.19 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -152.42 139.82 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.94 127.14 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -109.94 100.33 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -62.19 -39.64 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 5.5 mm100 -98.83 161.49 24.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 53.4 Cg_endo -69.77 115.47 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.808 HG21 HG21 ' A' ' 72' ' ' VAL . 7.1 m -89.26 166.19 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.524 ' N ' HG22 ' A' ' 47' ' ' THR . 27.6 t80 -119.08 146.63 44.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -95.03 109.49 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 p -80.26 39.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -134.91 -53.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.7 p -112.53 23.6 13.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 53' ' ' THR . 25.1 m 35.21 50.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 12.1 t70 -130.95 161.76 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 9.2 p90 -75.38 148.81 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 74' ' ' HIS . 49.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.909 HD11 ' HD2' ' A' ' 75' ' ' ARG . 18.1 mt -112.86 112.53 24.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -96.4 124.82 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.97 131.1 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -81.98 29.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.49 HG11 ' H ' ' A' ' 88' ' ' ALA . 27.1 t -132.08 -58.2 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 6.3 p -114.1 22.86 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 32.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CE2' HG11 ' A' ' 73' ' ' VAL . 26.2 t80 -83.92 104.09 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 47' ' ' THR . 3.1 p -106.67 129.17 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.1 m -148.79 159.03 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.615 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.0 m80 -46.42 150.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.909 ' HD2' HD11 ' A' ' 64' ' ' LEU . 4.7 mmm180 -56.96 -21.74 32.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -87.7 -45.09 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.4 m -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.601 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.41 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 13.9 pt-20 -46.4 -45.13 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 81' ' ' VAL . 28.9 m-85 -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' PHE . 83.6 t -36.97 124.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -110.03 -36.85 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 22.4 t80 -45.5 140.41 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 12.0 tt0 -84.82 137.08 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.761 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 9.1 t -65.53 133.3 95.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.485 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.76 -46.23 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.99 -51.77 6.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -55.81 174.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -87.7 76.16 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.468 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 26.4 m-85 -82.57 130.16 35.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 39' ' ' THR . 9.7 t -131.76 108.82 9.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -42.93 122.99 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -154.61 134.22 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -65.6 143.45 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -117.61 123.71 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 45' ' ' GLN . 26.7 pttt -80.88 -40.12 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 37.3 mt-30 -94.23 157.48 37.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.5 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.72 ' CG2' HG11 ' A' ' 72' ' ' VAL . 16.6 m -69.67 145.89 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' C ' ' A' ' 53' ' ' THR . 17.7 t80 -104.54 147.83 27.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 t -89.21 110.74 21.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -79.8 38.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -133.18 -52.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 22.5 p -112.68 23.73 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.48 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 9.8 t 38.13 49.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 35.5 m-20 -130.6 162.72 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -84.22 154.32 23.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 40' ' ' ALA . 22.1 mt -118.83 112.62 19.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.943 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -96.24 137.96 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.03 134.88 35.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.06 24.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -129.92 -59.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.3 p -112.99 29.38 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' CYS . 16.5 m 33.96 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' CYS . 46.8 t80 -88.35 103.83 16.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.72 HG11 ' CG2' ' A' ' 47' ' ' THR . 8.7 p -104.29 131.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.2 m -152.07 151.52 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 56' ' ' ILE . 26.3 m80 -41.3 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.2 OUTLIER -63.02 -50.27 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 5.7 ptp180 -62.03 -32.28 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.669 ' O ' HG23 ' A' ' 81' ' ' VAL . 21.5 m -68.93 -42.86 76.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -36.75 -66.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 14.4 pt-20 -55.46 -49.12 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 76' ' ' ARG . 17.5 m-85 -51.58 -36.18 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 77' ' ' CYS . 72.3 t -45.23 135.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.5 p -117.92 -43.39 2.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 84' ' ' GLU . 8.4 t80 -37.03 146.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 8.0 pt-20 -96.99 117.36 30.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.2 t -41.02 134.64 1.74 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.76 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.63 -46.92 22.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.97 171.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -78.65 43.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CD2' ' CG ' ' A' ' 78' ' ' HIS . 47.0 m-85 -51.05 121.42 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 39' ' ' THR . 9.5 t -133.96 120.6 20.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.24 124.26 18.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -144.87 150.47 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.19 131.04 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.58 ' CZ ' ' HD2' ' A' ' 41' ' ' ARG . 3.4 m-85 -117.94 151.5 37.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -114.36 -44.94 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 7.7 pt20 -94.11 155.11 40.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.5 Cg_endo -69.81 81.56 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.639 ' CG2' HG11 ' A' ' 72' ' ' VAL . 32.4 m -50.32 160.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.524 ' N ' HG22 ' A' ' 47' ' ' THR . 6.3 t80 -104.87 125.76 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.13 104.54 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -77.17 39.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.407 ' HB2' HG11 ' A' ' 73' ' ' VAL . 32.9 t-80 -133.94 -48.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 26.8 p -122.23 28.0 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 53' ' ' THR . 57.3 m 37.46 53.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 25.7 m-20 -135.18 160.17 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.48 148.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 74' ' ' HIS . 63.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.482 ' CA ' HG21 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -95.99 114.28 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.15 142.08 28.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.5 t -88.4 136.25 33.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.68 30.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.681 HG11 ' H ' ' A' ' 88' ' ' ALA . 40.0 t -133.17 -65.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 9.7 p -107.35 25.04 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.51 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.424 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 65.8 t80 -83.78 106.84 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.639 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.3 p -113.96 127.66 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' HIS . 27.1 m -145.25 153.75 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.596 ' CD2' HG12 ' A' ' 56' ' ' ILE . 34.7 m80 -34.31 152.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 30.6 ttt180 -53.51 -48.31 69.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 26.9 ptt-85 -69.24 -50.54 46.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 20.4 m -41.47 -39.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.511 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -41.09 -71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.82 -38.53 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 77' ' ' CYS . 24.6 m-85 -69.04 -35.84 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 78' ' ' HIS . 76.2 t -41.67 132.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -114.54 -44.06 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -43.1 122.38 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -73.6 133.85 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.19 133.62 84.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -52.57 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.453 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -66.07 -89.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.681 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 t -75.84 111.42 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.8 p -74.11 124.19 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.19 83.17 0.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -71.99 -44.74 63.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t 44.59 41.19 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.68 -149.21 5.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 35.9 m-70 -84.6 176.61 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -82.01 40.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 69.7 m-85 -50.46 137.02 19.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -162.52 130.62 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.15 127.15 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -149.87 122.55 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -51.8 139.51 21.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -123.36 88.75 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.48 -27.87 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 43.3 mt-30 -107.23 160.14 27.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HA ' ' CB ' ' A' ' 57' ' ' TRP . 54.2 Cg_endo -69.73 92.62 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.466 ' CG2' HG11 ' A' ' 72' ' ' VAL . 21.5 m -64.73 150.21 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 4.9 t80 -123.74 117.14 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.01 121.46 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.8 t -95.34 43.36 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -134.51 -60.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.67 -13.69 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 53' ' ' THR . 11.0 m 71.61 47.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -132.41 171.47 13.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -87.34 158.95 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.0 mt -119.92 -49.18 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CB ' ' HA ' ' A' ' 46' ' ' PRO . 52.9 t-105 -66.84 92.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.29 -52.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.781 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.7 pp -83.22 33.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.58 -168.59 12.99 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -119.0 41.06 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.8 86.4 4.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.92 111.72 0.65 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -114.81 112.95 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.13 135.11 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.62 133.3 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -85.99 27.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 25.5 t -129.61 -59.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 18.6 p -112.29 23.11 14.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 40.69 38.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.464 ' CE2' HG11 ' A' ' 73' ' ' VAL . 32.2 t80 -96.22 98.21 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -96.49 128.69 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 m -140.62 143.95 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.584 ' CD2' HG12 ' A' ' 56' ' ' ILE . 67.0 m80 -40.26 161.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -54.74 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 17.6 ptt180 -71.2 -38.35 72.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.745 ' O ' HG23 ' A' ' 81' ' ' VAL . 57.7 m -59.98 -33.2 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -45.81 -64.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 12.7 pt-20 -57.86 -43.44 85.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.476 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 15.3 m-85 -55.63 -39.24 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 77' ' ' CYS . 77.3 t -39.18 134.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -119.64 -28.84 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 24.2 t80 -53.23 149.56 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -98.31 115.67 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.07 133.88 7.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 Cg_endo -69.75 -29.07 24.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.454 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -102.6 -48.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.58 109.25 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.58 -95.38 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -83.37 156.42 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.42 -163.11 36.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 113.4 3.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -60.66 172.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.8 p -45.37 -47.27 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -58.28 163.48 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.44 122.25 17.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.68 153.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' LYS . 95.3 m-20 -139.89 -178.71 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ASN . 20.5 tttm -37.87 127.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -79.92 157.99 26.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.69 159.2 29.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -111.24 -56.98 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -72.9 176.8 5.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -84.72 113.1 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -147.77 148.92 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.26 54.97 3.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -124.48 136.11 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -80.82 170.89 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.88 -172.58 22.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 9.3 m-70 -75.66 171.7 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -78.52 81.46 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 36' ' ' HIS . 62.9 m-85 -93.58 154.34 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -147.59 111.68 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . . . -47.97 121.17 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.462 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 7.0 ptm180 -153.34 146.41 24.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -77.48 131.48 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.81 122.94 46.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -38.32 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -95.13 152.73 39.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.13 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.58 HG22 ' N ' ' A' ' 48' ' ' PHE . 18.5 m -77.23 166.64 22.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' N ' HG22 ' A' ' 47' ' ' THR . 33.3 t80 -117.65 132.21 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -80.04 116.78 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.4 m -86.01 39.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -134.26 -52.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.5 14.58 21.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 m 44.15 54.14 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -137.22 165.05 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.82 155.27 33.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 74' ' ' HIS . 40.8 mt -107.07 -39.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -40.45 131.66 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.36 -102.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.8 mt -47.09 -57.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.62 -70.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HE3' ' CA ' ' A' ' 41' ' ' ARG . 19.1 tptm -101.49 51.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -119.05 42.88 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.51 123.17 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 18.7 mt -123.38 120.02 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.38 145.36 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.6 t -88.13 129.23 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -86.98 26.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.628 HG23 ' HB3' ' A' ' 37' ' ' LYS . 37.9 t -126.68 -48.71 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.9 21.86 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m 47.94 25.05 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CE2' HG11 ' A' ' 73' ' ' VAL . 70.2 t80 -86.24 107.54 17.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' C ' HG13 ' A' ' 73' ' ' VAL . 4.1 p -107.94 144.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.498 HG11 ' CE2' ' A' ' 71' ' ' PHE . 17.5 m -157.11 150.6 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.8 m80 -41.88 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -60.34 -47.64 85.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -68.17 -30.8 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' HIS . 35.1 m -69.28 -39.23 78.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.485 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -33.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 11.0 pt-20 -52.54 -45.87 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -53.01 -33.42 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.6 t -41.31 136.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.7 p -115.39 -47.07 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -45.8 135.38 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -82.77 139.9 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.583 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.5 t -66.66 133.76 94.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -68.55 -58.97 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -35.85 -54.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.36 -146.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -46.91 -46.03 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.16 76.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.73 15.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.18 36.4 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 94' ' ' THR . 20.0 m -123.95 42.28 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.56 125.33 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -115.32 65.14 2.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' C ' ' HG3' ' A' ' 98' ' ' ARG . 54.0 Cg_endo -69.77 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.43 ' HG3' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -136.44 176.92 8.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -100.25 106.86 18.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -47.15 172.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -140.62 178.74 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -109.6 141.5 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -104.84 124.17 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -60.4 143.23 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 105' ' ' LEU . 7.2 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -164.25 129.36 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -100.16 -43.52 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.6 125.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -151.46 121.81 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.0 m -137.21 115.67 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.92 169.08 26.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.8 m-70 -54.02 173.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -89.74 73.15 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 68.2 m-85 -81.15 145.51 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -158.65 148.68 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 126.19 23.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -148.15 119.44 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -56.12 148.66 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -144.66 106.14 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -79.46 -24.41 42.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -99.44 157.39 34.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HA ' ' CB ' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.81 81.91 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.49 ' HB ' HD12 ' A' ' 56' ' ' ILE . 4.8 m -46.19 159.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 47' ' ' THR . 51.1 t80 -121.74 108.63 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.0 t -61.4 125.92 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.586 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 73.3 m -97.48 28.98 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -124.69 -46.33 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.53 -1.32 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 53' ' ' THR . 51.8 m 61.5 54.88 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -144.23 168.41 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.23 152.53 26.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' A' ' 74' ' ' HIS . 60.7 mt -103.93 -56.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.418 ' CB ' ' HA ' ' A' ' 46' ' ' PRO . 26.9 t90 -47.83 -40.38 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' TRP . . . -37.99 -52.48 2.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.74 -48.99 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.04 155.7 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -12.42 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -51.9 92.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -148.08 158.86 27.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.38 126.4 26.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -110.59 148.61 31.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.9 t -90.71 121.32 32.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -72.83 2.55 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.72 -62.36 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 p -108.8 25.22 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m 40.95 27.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 61.6 t80 -87.27 118.77 26.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.2 p -118.55 149.29 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 72' ' ' VAL . 35.9 m -161.24 157.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.536 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.1 m80 -42.57 148.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.16 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.05 -45.68 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 81' ' ' VAL . 43.9 m -50.36 -20.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.536 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.1 -67.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.42 -29.22 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -73.79 -28.5 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 77' ' ' CYS . 49.4 t -46.02 118.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -111.22 0.74 16.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -83.55 133.11 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.65 129.11 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 8.6 t -63.9 133.8 95.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.98 17.5 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.64 -48.37 2.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.56 138.08 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.64 134.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -121.45 174.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.65 -126.55 3.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -43.45 2.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -64.52 145.43 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.5 m -117.39 126.25 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.68 155.99 19.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -109.67 116.66 53.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.9 Cg_endo -69.72 6.67 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.516 ' C ' ' O ' ' A' ' 97' ' ' PRO . 13.9 ptt180 -28.82 139.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -116.7 150.67 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 156.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -52.46 142.75 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -77.96 115.31 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -73.48 173.65 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -104.87 125.44 50.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 105' ' ' LEU . 4.2 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.4 m -112.6 144.48 42.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -108.67 104.62 13.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.34 89.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -124.69 135.36 52.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -115.1 116.57 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.57 -168.45 23.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.8 m-70 -89.98 174.15 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -80.93 42.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 59.8 m-85 -50.04 153.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -172.71 138.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 120.78 11.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -134.12 119.71 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -52.6 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -99.59 127.35 45.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -91.83 -41.36 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.407 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 6.5 pt20 -88.11 155.14 52.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.9 Cg_endo -69.77 79.97 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 48' ' ' PHE . 16.1 m -54.5 163.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 53' ' ' THR . 14.0 t80 -120.98 130.12 53.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.9 t -78.02 119.06 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -87.25 33.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -129.16 -46.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.3 p -123.02 26.94 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 9.7 t 34.52 55.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 6.9 m-20 -136.72 158.04 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -80.63 143.64 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.599 HG12 ' CD2' ' A' ' 74' ' ' HIS . 20.2 mt -97.24 -48.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -63.49 121.45 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 164.98 -88.07 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -59.72 -175.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.67 43.37 2.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -142.83 149.99 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -111.95 179.0 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.434 ' HA3' HG21 ' A' ' 56' ' ' ILE . . . -117.34 156.74 15.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.31 127.09 52.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -105.95 142.96 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.6 t -86.27 133.78 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -87.87 29.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.99 -64.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.4 p -107.44 22.8 15.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.38 27.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CE2' HG11 ' A' ' 73' ' ' VAL . 64.3 t80 -82.48 102.25 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 5.6 p -101.41 146.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 21.3 m -160.96 149.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.599 ' CD2' HG12 ' A' ' 56' ' ' ILE . 44.0 m80 -35.74 153.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -53.66 -45.2 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 22.0 ptt-85 -74.48 -44.24 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.621 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.7 m -49.24 -25.74 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.481 ' CG ' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -48.21 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 10.2 pt-20 -49.24 -38.32 26.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 50.9 m-85 -62.62 -35.86 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 77' ' ' CYS . 76.7 t -40.38 135.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.5 p -116.22 -45.17 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -40.98 148.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -99.41 125.5 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.645 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.1 t -52.6 133.74 45.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.6 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.645 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -43.33 -59.53 2.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.81 74.93 0.75 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -101.33 -44.6 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -44.22 146.09 1.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.99 9.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.86 92.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -47.21 148.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -98.22 39.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 98' ' ' ARG . 14.7 t70 -120.23 133.34 23.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 13.44 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.302 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 96' ' ' ASP . 8.8 ptp180 -59.34 -179.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.33 130.6 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -97.51 154.32 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -46.61 -53.41 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -50.69 125.22 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -133.15 155.21 49.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -111.4 132.0 54.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 105' ' ' LEU . 2.2 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 m -123.24 157.17 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p -155.28 129.23 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.7 132.44 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.1 m -93.75 -49.22 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -115.9 139.88 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.24 165.9 10.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 13.3 m-70 -65.01 -178.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -80.58 42.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 71.4 m-85 -51.07 147.93 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -159.47 141.51 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.96 126.03 25.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -140.39 131.63 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -72.66 114.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.2 124.91 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.64 -44.94 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 8.6 mm100 -84.18 161.58 54.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 54.0 Cg_endo -69.76 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.1 m -55.84 147.36 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 40.5 t80 -108.6 127.25 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.63 113.16 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 3.6 t -79.21 39.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.9 t-80 -134.45 -47.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.68 23.88 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 64.7 p 38.92 43.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.35 155.28 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -77.32 150.61 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.604 HG12 ' CD2' ' A' ' 74' ' ' HIS . 21.1 mt -98.67 -50.9 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.407 ' CB ' ' HA ' ' A' ' 46' ' ' PRO . 2.3 t90 -58.66 -44.15 90.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 -110.16 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 60' ' ' GLY . 19.3 tt -88.17 -44.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.076 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 59' ' ' ILE . . . -176.47 78.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -149.19 157.3 43.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -111.81 164.74 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.56 162.38 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.37 118.33 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -99.86 144.26 29.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 t -86.78 132.88 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.27 30.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.557 HG11 ' H ' ' A' ' 88' ' ' ALA . 15.9 t -134.81 -60.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 8.0 p -110.84 24.68 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.9 m 40.1 34.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 17.8 t80 -89.69 104.56 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.25 129.3 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.541 HG21 ' CG2' ' A' ' 81' ' ' VAL . 35.2 m -144.18 146.12 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CD2' HG12 ' A' ' 56' ' ' ILE . 42.0 m80 -38.38 158.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.35 -47.13 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.5 m -57.3 -30.9 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.696 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.9 t-80 -44.92 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -52.68 -42.72 65.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.64 -39.79 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 77' ' ' CYS . 89.7 t -39.29 113.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.5 p -97.33 -37.31 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 28.8 t80 -45.37 136.85 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -88.28 114.33 24.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 16.4 t -41.81 134.22 2.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.75 -26.31 27.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -100.75 -60.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -43.98 -49.85 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.22 91.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -65.52 -41.22 93.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . -156.12 174.84 33.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 13.82 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 91' ' ' GLY . 26.9 tt0 -62.25 105.15 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.3 p -96.9 173.32 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ASP . 1.9 p-10 -51.48 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 98' ' ' ARG . 2.2 m-20 -34.44 140.36 0.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.739 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.527 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.76 19.61 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.527 ' C ' ' O ' ' A' ' 97' ' ' PRO . 67.5 mtt85 -27.94 101.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.99 176.52 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' HIS . 9.1 ptmm? -37.28 146.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -35.58 150.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.2 mttm -35.53 152.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.34 178.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.15 178.41 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -103.92 83.11 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t 50.14 41.8 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.69 166.78 30.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 p -83.09 113.86 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -120.74 97.11 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.33 177.75 13.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 19.6 m-70 -61.54 179.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -97.31 52.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CB ' HD12 ' A' ' 64' ' ' LEU . 63.2 m-85 -58.85 166.15 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 39' ' ' THR . 2.7 t -158.59 105.3 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.75 111.66 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -137.4 135.68 37.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -49.08 150.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.92 91.71 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.85 -27.58 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -121.17 157.7 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 53.2 Cg_endo -69.79 131.54 21.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.644 HG22 ' H ' ' A' ' 48' ' ' PHE . 1.1 m -112.11 174.0 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.644 ' H ' HG22 ' A' ' 47' ' ' THR . 37.7 t80 -123.02 138.5 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.469 ' CA ' HD11 ' A' ' 56' ' ' ILE . 12.9 t -83.07 112.94 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.3 m -77.38 9.26 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -106.31 -54.12 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' THR . 31.2 p -107.95 22.84 15.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' CYS . 72.0 p 33.29 54.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.93 154.22 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 46' ' ' PRO . 2.4 t80 -64.89 154.11 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.469 HD11 ' CA ' ' A' ' 49' ' ' CYS . 72.5 mt -127.97 82.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 58' ' ' GLY . 13.3 t-105 -150.0 155.59 40.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' N ' ' CD2' ' A' ' 57' ' ' TRP . . . 145.32 -143.37 11.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.1 mm -107.06 138.04 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.41 -171.33 27.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.522 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -125.65 82.08 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -108.43 48.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.34 125.83 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.74 HD12 ' CB ' ' A' ' 38' ' ' PHE . 3.9 mm? -111.33 97.0 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -93.02 111.15 22.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.81 132.26 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.67 29.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.865 HG11 ' H ' ' A' ' 88' ' ' ALA . 15.9 t -128.6 -69.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 5.1 p -97.8 5.38 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m 64.12 30.64 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 9.5 t80 -81.94 109.36 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.549 HG11 ' CG2' ' A' ' 47' ' ' THR . 9.2 p -107.98 119.4 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG11 ' CE2' ' A' ' 71' ' ' PHE . 20.0 m -143.86 146.32 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' NE2' HG12 ' A' ' 56' ' ' ILE . 37.8 m80 -39.88 158.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' HD21 ' A' ' 64' ' ' LEU . 2.2 tmm_? -66.48 -31.11 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.62 -18.43 54.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' HIS . 66.2 m -92.19 -30.33 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -34.24 -63.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.2 pt-20 -56.48 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' VAL . 25.9 m-85 -42.32 -49.9 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 80' ' ' PHE . 61.3 t -32.75 143.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.8 p -129.76 -34.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -45.99 127.33 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.82 133.09 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.05 133.71 95.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -93.23 -53.79 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.865 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -66.92 151.9 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.73 -166.32 35.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 90' ' ' LYS . 12.5 tmtt? -90.04 101.84 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.97 -174.36 34.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.82 4.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -76.24 107.5 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 94' ' ' THR . 13.2 t -69.04 123.49 21.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -99.49 176.42 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' ASP . 10.5 t0 -34.9 103.59 0.24 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 96' ' ' ASP . 53.3 Cg_endo -69.84 1.46 4.47 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.2 mmm-85 -91.34 85.92 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -147.19 175.37 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 162.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -42.56 100.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.09 130.03 37.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -72.09 106.16 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.81 165.61 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -80.41 117.33 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -155.48 119.56 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.62 -103.74 2.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.9 p -172.35 118.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -79.69 92.43 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.45 179.28 46.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -76.53 177.02 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -78.65 44.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 64' ' ' LEU . 53.4 m-85 -54.89 140.69 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 t -156.58 141.02 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.73 122.69 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -136.02 131.05 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.46 117.92 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.53 111.01 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -76.11 -34.16 59.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -103.99 161.73 22.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 90.22 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.71 ' HB ' HD12 ' A' ' 56' ' ' ILE . 3.5 m -59.13 147.18 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.38 136.38 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 t -90.48 118.16 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 37.2 m -84.17 25.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -122.05 -49.72 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' THR . 25.7 p -116.5 25.97 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 9.9 t 33.72 54.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.86 160.79 37.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -77.72 155.82 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.71 HD12 ' HB ' ' A' ' 47' ' ' THR . 28.9 mt -113.27 79.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.532 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 8.5 t-105 -137.13 161.7 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.532 ' N ' ' CG ' ' A' ' 57' ' ' TRP . . . 114.94 129.01 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.02 145.53 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.72 -47.15 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.96 135.16 42.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -137.07 -174.82 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -125.97 159.61 20.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 38' ' ' PHE . 10.8 mt -120.83 120.87 36.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -90.15 137.54 32.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.3 t -85.24 130.92 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -85.54 27.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.445 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 44.8 t -129.63 -58.19 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 6.6 p -115.47 25.67 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m 44.57 25.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 25.5 t80 -81.74 100.89 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 47' ' ' THR . 6.2 p -106.84 124.46 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.3 m -142.34 153.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.6 ' CD2' HG12 ' A' ' 56' ' ' ILE . 39.0 m80 -40.32 158.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -60.78 -53.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 6.6 ptm180 -58.25 -33.61 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' VAL . 56.7 m -69.12 -36.65 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 38' ' ' PHE . 1.0 OUTLIER -36.16 -34.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 3.8 pt-20 -88.15 -40.06 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.456 ' N ' ' O ' ' A' ' 77' ' ' CYS . 28.9 m-85 -61.57 -32.79 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 77' ' ' CYS . 64.5 t -42.91 120.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 t -100.03 -28.5 13.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 84' ' ' GLU . 11.7 t80 -64.7 135.39 55.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 7.2 mm-40 -87.92 138.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.7 t -59.15 131.77 87.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.739 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -67.01 -54.09 23.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 123.84 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.04 118.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -45.09 133.73 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.96 171.48 22.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -130.61 94.51 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.5 m -80.41 133.82 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' ASP . 2.2 p30 -87.17 163.9 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ASP . 4.9 m-20 -33.73 96.91 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 96' ' ' ASP . 53.5 Cg_endo -69.78 -36.46 10.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -144.61 161.99 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -66.59 116.14 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -47.77 127.08 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -127.43 174.74 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.63 150.77 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -122.47 169.45 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -148.26 142.8 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 105' ' ' LEU . 4.9 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 t -108.44 96.43 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.2 p -81.01 106.41 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 -124.6 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -133.44 98.8 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -61.71 87.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.54 161.21 20.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 30.6 m-70 -54.05 176.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -81.26 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 57.6 m-85 -50.23 129.95 22.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -142.24 117.66 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.33 125.75 24.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -146.02 162.51 37.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 122.98 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -105.76 97.82 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -58.0 -44.1 87.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -102.43 154.16 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.57 HG21 HG21 ' A' ' 72' ' ' VAL . 52.2 m -91.44 154.77 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE1' ' C ' ' A' ' 54' ' ' ASP . 12.3 t80 -99.8 158.62 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -98.27 112.04 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t -82.09 37.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -134.14 -52.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.6 p -115.36 28.59 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 27.9 p 34.3 54.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' C ' ' CE1' ' A' ' 48' ' ' PHE . 44.8 m-20 -136.45 165.97 24.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -87.17 141.51 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.49 -44.96 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -52.91 97.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.28 -159.32 11.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 60' ' ' GLY . 7.0 pt -53.78 -25.57 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.375 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 59' ' ' ILE . . . 170.89 59.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -132.63 155.74 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 159.99 32.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.67 -178.6 23.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 38' ' ' PHE . 17.7 mt -127.45 107.22 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -90.21 117.71 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.19 135.67 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -85.69 31.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 31.9 t -134.16 -61.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.422 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 10.2 p -111.09 22.47 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t 41.29 41.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 19.2 t80 -91.33 94.54 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 47' ' ' THR . 9.7 p -97.02 118.55 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' HIS . 35.0 m -140.5 154.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' VAL . 33.6 m80 -35.69 144.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -39.24 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -37.31 58.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.2 m -59.72 -21.5 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.499 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.75 -71.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 8.4 pt-20 -42.91 -38.87 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 76.7 m-85 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 77' ' ' CYS . 93.9 t -35.71 103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -91.89 -30.52 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 34.0 t80 -49.93 142.97 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.08 119.52 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 12.1 t -45.39 133.99 5.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.6 Cg_endo -69.79 -41.63 4.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.35 -64.08 2.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -36.6 138.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.38 -126.65 31.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -91.38 172.56 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.8 118.03 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.81 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . 7.2 tp60 -73.91 143.0 45.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' GLN . 73.6 p -37.4 144.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ASP . 1.8 m-20 -81.71 43.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 95' ' ' ASP . 3.5 p-10 -37.88 136.81 0.75 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 8.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -57.41 121.01 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.37 137.35 30.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -149.31 140.32 22.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -41.19 145.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -113.53 94.56 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -61.47 90.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 105' ' ' LEU . 25.1 ptt180 -83.68 -41.65 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.0 m -98.51 120.16 38.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -69.53 -53.3 19.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.26 58.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -118.33 96.16 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 t -90.9 100.91 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.29 -177.5 48.3 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 14.1 m-70 -57.37 174.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -78.02 44.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 53.0 m-85 -51.11 134.47 26.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -138.55 123.59 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -56.66 122.42 12.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -155.09 137.88 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -68.93 150.34 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.61 101.51 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -48.5 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -93.55 162.61 27.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.92 3.21 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -89.64 150.9 22.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 23.3 t80 -102.46 126.72 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -77.79 113.46 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -80.76 37.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -133.24 -48.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -119.83 24.66 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 47.1 p 37.93 47.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.18 163.45 27.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -78.54 149.99 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG12 ' CD2' ' A' ' 74' ' ' HIS . 68.1 mt -100.16 -44.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -55.65 -51.15 68.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 49.55 -100.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 60' ' ' GLY . 7.4 tt -118.8 -42.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 59' ' ' ILE . . . -168.14 63.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -137.47 162.65 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.33 165.15 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.12 -161.75 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 40' ' ' ALA . 11.8 mt -138.73 117.74 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' OE1' ' C ' ' A' ' 70' ' ' SER . 4.6 tp-100 -94.74 143.41 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.408 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.5 t -89.22 133.63 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -84.95 32.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.6 t -135.0 -64.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 22.7 p -110.67 25.36 11.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.454 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 76.6 p 41.26 37.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 66.4 t80 -91.35 101.58 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.09 137.13 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 81' ' ' VAL . 35.1 m -153.05 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.61 ' CD2' HG12 ' A' ' 56' ' ' ILE . 36.2 m80 -35.44 153.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -57.17 -38.14 73.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -75.66 -39.79 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 35.4 m -60.55 -33.54 72.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.642 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -38.45 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 16.8 pt-20 -44.77 -45.59 10.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 35.7 m-85 -56.74 -39.78 74.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 73' ' ' VAL . 89.2 t -35.69 115.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -96.95 -51.02 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 33.1 t80 -43.48 145.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 6.0 mm-40 -95.18 152.36 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 11.7 t -76.88 133.86 69.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -52.24 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -57.86 -60.44 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.68 -48.26 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.58 146.11 36.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -107.75 111.02 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . 159.89 -108.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' GLN . 53.7 Cg_endo -69.73 19.15 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 91' ' ' GLY . 4.2 tm0? -33.49 -58.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -141.91 148.39 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.43 154.41 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.425 ' C ' ' H ' ' A' ' 98' ' ' ARG . 48.7 m-20 -39.15 137.91 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 11.78 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 96' ' ' ASP . 28.8 ptt180 -46.69 126.14 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -145.2 176.39 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -107.75 139.13 42.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -74.02 165.69 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -113.44 165.74 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -116.64 176.29 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -75.13 154.27 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.796 ' C ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' SER . 24.7 m -100.32 125.5 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 110.827 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 89.1 p 36.5 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.08 -49.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -79.79 152.37 29.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 m -86.36 135.31 33.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.86 -168.89 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -79.89 169.84 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -78.93 44.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 42.0 m-85 -50.28 123.72 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 t -138.49 124.43 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.41 135.53 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -152.0 147.77 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -82.0 128.36 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.406 ' HB2' ' CE ' ' A' ' 61' ' ' LYS . 26.4 m-85 -118.05 107.5 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.02 -29.39 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -107.91 159.09 31.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.2 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.617 HG22 ' N ' ' A' ' 48' ' ' PHE . 25.6 m -54.96 167.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.617 ' N ' HG22 ' A' ' 47' ' ' THR . 37.3 t80 -117.25 142.52 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 43.2 t -86.68 116.75 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -82.82 19.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.457 ' HB2' HG11 ' A' ' 73' ' ' VAL . 56.8 t60 -115.72 -52.86 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.9 p -116.86 32.36 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.0 p 31.76 54.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 14.5 m-20 -123.35 -173.14 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -121.58 134.24 55.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.605 HG12 ' CD2' ' A' ' 74' ' ' HIS . 16.1 mt -99.47 78.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -148.68 159.32 44.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.58 -133.92 11.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.72 142.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.24 61.46 7.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CE ' ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -73.38 90.95 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.892 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -137.96 117.48 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -141.89 136.11 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 10.3 mt -114.53 114.5 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -101.57 130.04 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.3 t -72.77 125.82 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 17.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.5 t -119.18 -57.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 18.2 p -115.05 30.12 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' CYS . 52.6 p 37.63 32.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 72.0 t80 -85.62 101.08 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.481 HG11 ' CG2' ' A' ' 47' ' ' THR . 8.5 p -109.39 125.75 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 51' ' ' HIS . 30.4 m -143.5 155.61 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.605 ' CD2' HG12 ' A' ' 56' ' ' ILE . 28.5 m80 -34.8 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -58.66 -39.33 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -77.63 -43.46 31.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 81' ' ' VAL . 20.6 m -51.0 -34.45 29.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.433 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -42.62 -62.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.02 -28.74 67.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -77.7 -24.55 49.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 77' ' ' CYS . 47.0 t -48.64 144.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -120.5 -38.2 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -47.16 155.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.03 124.87 50.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 6.0 t -52.11 133.88 40.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.29 8.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.25 -67.59 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -38.94 130.14 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -151.3 17.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -121.27 100.41 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.32 120.31 4.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 154.83 67.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -93.76 132.45 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.3 t -75.76 164.33 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.66 166.16 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -77.55 146.18 72.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 8.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -47.08 150.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -149.87 173.68 13.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -117.89 161.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -50.52 -178.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.69 161.89 18.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -146.38 157.03 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -142.73 150.34 39.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.1 p -102.6 158.03 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -62.18 -59.86 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.62 141.97 13.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.0 m -105.1 107.88 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.378 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -67.79 146.91 53.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.42 -157.24 37.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.6 m-70 -89.08 176.6 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 0.0 110.805 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -87.13 62.21 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 85.6 m-85 -66.66 159.62 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -158.06 118.37 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.77 122.76 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -148.75 121.03 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -53.26 121.4 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.51 135.29 43.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -99.24 -40.48 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.26 161.28 28.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.73 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.816 HG21 HG21 ' A' ' 72' ' ' VAL . 32.9 m -58.85 145.81 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 58.1 t80 -96.53 134.58 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.37 112.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -79.95 37.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -134.9 -53.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.2 p -115.44 28.89 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 31.1 m 34.2 53.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -123.41 -179.13 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 57' ' ' TRP . 5.7 p90 -117.21 129.39 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 74' ' ' HIS . 17.8 mt -87.49 83.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.536 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 53.2 t-105 -150.7 138.31 19.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 164.91 -150.15 17.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 59' ' ' ILE . 4.8 mp -101.58 110.6 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.147 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.48 37.02 69.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.65 139.03 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -138.11 170.92 15.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -129.43 160.55 22.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.2 118.39 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -100.77 137.41 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.412 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.9 t -79.52 134.41 36.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -88.06 32.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.475 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 29.6 t -134.94 -60.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.407 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 12.7 p -113.77 24.69 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m 44.84 29.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CE2' HG11 ' A' ' 73' ' ' VAL . 65.9 t80 -83.64 102.22 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.816 HG21 HG21 ' A' ' 47' ' ' THR . 5.4 p -106.69 136.23 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' HIS . 20.3 m -156.21 152.28 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.593 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.6 m80 -34.76 152.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -58.12 -42.6 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 14.4 ptt180 -74.46 -45.76 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.7 m -48.23 -33.64 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.464 ' CD2' ' N ' ' A' ' 79' ' ' GLU . 4.7 t60 -39.94 -68.54 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 5.0 pt-20 -50.64 -36.12 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.487 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.9 m-85 -68.18 -35.93 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 77' ' ' CYS . 90.3 t -43.77 138.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 83' ' ' PHE . 9.6 t -113.83 -43.03 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.44 ' N ' HG23 ' A' ' 82' ' ' THR . 18.4 t80 -45.95 136.94 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.05 143.95 26.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 t -65.2 130.13 94.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 54.1 Cg_endo -69.75 -37.47 9.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.475 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -84.8 -53.93 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.2 123.81 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.46 -157.72 16.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -89.66 -57.91 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . 97.63 117.22 3.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 91' ' ' GLY . 4.8 tt0 -47.93 147.76 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 94' ' ' THR . 10.2 t -44.13 120.78 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -143.77 170.48 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -114.45 80.21 5.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.564 0.697 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -97.59 173.16 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -121.83 -58.47 1.74 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -70.27 96.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' LYS . 0.3 OUTLIER -117.44 -48.39 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' HIS . 32.5 tttt -37.34 147.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.9 164.14 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.593 ' C ' HD12 ' A' ' 105' ' ' LEU . 56.8 mtt180 -96.56 168.32 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 104' ' ' ARG . 10.6 mp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' GLY . 15.8 m -36.29 107.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 p -121.77 120.23 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 -156.95 9.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -115.66 102.58 9.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -91.54 -46.35 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.53 -155.41 22.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 45.9 m-70 -89.99 164.25 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -82.34 68.19 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -72.5 133.11 44.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -139.35 140.12 37.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB1' ' HD3' ' A' ' 61' ' ' LYS . . . -45.54 116.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 43' ' ' PHE . 3.5 tpp180 -132.31 130.82 41.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.31 137.32 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 41' ' ' ARG . 17.9 m-85 -137.17 110.93 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -68.48 -40.93 80.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.461 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 1.2 pt20 -97.56 156.51 36.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.7 Cg_endo -69.74 87.03 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 m -56.38 152.86 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 35.8 t80 -92.96 121.49 34.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 45.6 t -75.43 117.69 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.4 t -81.3 38.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 49' ' ' CYS . 21.9 t-80 -134.72 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.5 p -120.29 28.76 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 41.7 p 34.65 50.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 7.4 m-20 -128.87 153.41 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -72.85 156.59 38.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.511 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.8 mt -120.43 95.55 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -149.37 158.29 44.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.67 164.16 10.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.6 mt -67.3 109.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.0 156.18 9.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.599 ' HD3' ' HB1' ' A' ' 40' ' ' ALA . 18.1 mtpp -81.6 92.68 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.6 tp60 -107.3 -10.72 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.69 114.01 4.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt -114.31 115.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.45 121.0 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.34 130.75 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -83.78 29.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.46 HG11 ' H ' ' A' ' 88' ' ' ALA . 36.6 t -132.27 -63.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 p -109.16 26.04 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.61 28.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' HG11 ' A' ' 73' ' ' VAL . 88.4 t80 -80.92 105.58 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -105.64 128.67 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.725 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 35.5 m -153.09 155.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.511 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.2 m80 -38.28 159.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' GLN . 7.7 ttt85 -63.25 -44.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 14.7 ptt180 -74.31 -42.93 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.638 ' O ' HG23 ' A' ' 81' ' ' VAL . 27.8 m -50.81 -29.19 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.05 -61.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 4.4 pt-20 -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.442 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 m-85 -67.4 -38.83 85.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 77' ' ' CYS . 97.6 t -43.37 117.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 p -92.04 -32.46 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.49 140.13 47.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.04 139.27 30.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 36' ' ' HIS . 8.7 t -59.92 133.61 89.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.69 -62.43 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -52.66 -47.02 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.38 -137.49 9.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 91' ' ' GLY . 1.2 tmtp? -74.69 134.24 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.432 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -160.19 -176.01 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.61 63.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.85 -58.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -129.86 86.11 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.32 151.86 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -98.27 109.16 51.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -50.64 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -149.56 137.74 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.03 151.43 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -99.79 136.06 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -144.37 159.09 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 167.96 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -57.87 176.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 105' ' ' LEU . 4.3 tmm_? -147.17 152.12 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD23 ' C ' ' A' ' 105' ' ' LEU . 10.2 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -127.67 -46.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.4 m -92.13 163.79 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.84 -64.06 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 m -138.72 170.85 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -105.28 117.39 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.51 -173.68 21.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.4 m-70 -80.8 177.67 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -85.39 42.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 65.7 m-85 -53.06 151.23 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -171.54 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.1 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.25 137.92 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.82 91.21 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -93.19 133.82 36.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -99.75 -38.93 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -92.75 160.29 34.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 92.77 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 48' ' ' PHE . 17.2 m -75.05 156.79 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' N ' HG22 ' A' ' 47' ' ' THR . 15.4 t80 -108.04 149.66 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.47 112.21 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 7.0 t -82.52 36.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.533 ' HB2' HG11 ' A' ' 73' ' ' VAL . 44.7 t60 -132.8 -48.57 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.54 23.95 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.595 ' O ' HG22 ' A' ' 53' ' ' THR . 25.3 m 37.71 42.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -124.53 169.35 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.05 147.68 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 74' ' ' HIS . 74.8 mt -97.05 -43.55 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -64.72 176.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.49 -120.94 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 60' ' ' GLY . 6.8 pt -80.97 -25.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.461 ' N ' HG13 ' A' ' 59' ' ' ILE . . . 162.64 41.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -105.0 136.74 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -120.08 151.25 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.71 164.69 12.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 38' ' ' PHE . 24.2 mt -103.18 120.99 41.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.422 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 2.0 tp-100 -96.67 121.51 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 t -70.94 136.39 48.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -90.82 32.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.39 -61.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.9 p -110.09 19.64 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.406 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 6.7 t 48.36 34.99 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 24.4 t80 -86.78 101.11 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.1 p -103.16 117.98 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 51' ' ' HIS . 28.2 m -143.11 154.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.9 m170 -35.98 154.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -59.93 -48.14 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 10.9 ptp180 -68.85 -39.55 79.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 21.2 m -55.42 -40.17 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.541 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.55 -71.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 6.9 pt-20 -48.89 -36.43 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.471 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.1 m-85 -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.8 t -42.35 119.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.0 p -89.48 -46.26 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 24.7 t80 -59.29 134.89 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 9.9 tt0 -84.26 166.39 17.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.11 132.42 67.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.91 5.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.61 -56.51 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.48 78.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.324 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 40.63 65.02 1.08 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -87.51 95.05 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.07 -133.2 6.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.98 15.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.47 157.92 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.0 m -137.89 142.65 40.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.36 134.97 57.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.36 115.84 9.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.605 0.716 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.281 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -66.33 120.33 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.839 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 100' ' ' LYS . 24.0 p30 -149.44 171.31 16.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 99' ' ' ASN . 55.7 mmtt -36.4 120.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -98.3 168.09 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -89.39 165.76 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -108.93 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -112.08 176.09 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.467 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 p -107.43 102.47 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -169.58 156.65 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.69 -48.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -66.74 -44.6 81.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -87.58 116.5 25.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 152.85 0.95 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -83.91 178.38 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -79.28 43.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.431 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 62.9 m-85 -50.65 146.5 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 39' ' ' THR . 9.0 t -157.47 124.42 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.14 128.81 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -150.34 162.86 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -85.64 146.59 26.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 5.5 m-85 -134.36 127.15 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -88.77 -45.37 9.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.19 153.72 54.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' HB2' ' CE3' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.78 86.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.504 ' CG2' HG11 ' A' ' 72' ' ' VAL . 45.8 m -65.35 153.18 41.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 53' ' ' THR . 16.5 t80 -108.78 148.06 31.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.28 110.24 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -79.72 38.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -134.14 -53.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.3 p -117.0 28.55 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.513 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 8.9 t 33.1 52.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 4.0 m-20 -130.22 161.38 31.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 37.2 p90 -75.31 158.2 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 74' ' ' HIS . 70.2 mt -109.89 -41.08 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.584 ' CE3' ' HB2' ' A' ' 46' ' ' PRO . 22.3 p90 -63.31 154.36 31.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.11 -79.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mm -93.72 -48.0 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.2 -173.06 25.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' CD ' ' H ' ' A' ' 43' ' ' PHE . 2.0 mtmp? -91.58 95.7 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -122.87 44.84 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.85 110.11 2.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.1 mt -90.44 125.11 35.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.713 0.292 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -106.14 147.91 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 32.8 t -92.68 133.01 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -83.95 29.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.869 HG11 ' H ' ' A' ' 88' ' ' ALA . 32.7 t -133.39 -59.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.0 p -112.36 25.55 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' CYS . 5.1 m 36.83 37.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE2' HG11 ' A' ' 73' ' ' VAL . 49.8 t80 -89.97 101.89 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -99.45 135.15 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 71' ' ' PHE . 21.8 m -154.1 153.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 56' ' ' ILE . 31.5 m170 -38.34 158.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -65.73 -44.83 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 6.4 ptp180 -69.05 -42.01 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 72.6 m -56.56 -34.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 77' ' ' CYS . 0.6 OUTLIER -35.03 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.1 pt-20 -47.01 -48.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 79' ' ' GLU . 45.9 m-85 -51.78 -44.5 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' PHE . 88.8 t -35.67 125.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.4 p -107.23 -44.4 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.04 141.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -91.47 138.98 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -61.58 133.6 93.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.07 5.67 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -86.36 -72.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.869 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -44.2 148.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.21 72.14 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -79.98 42.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.07 161.92 23.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -7.9 22.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -80.83 42.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.9 p -43.8 144.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.26 168.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 98' ' ' ARG . 5.5 m-20 -45.6 150.86 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 98' ' ' ARG . 54.0 Cg_endo -69.72 16.96 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.354 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.508 ' C ' ' O ' ' A' ' 97' ' ' PRO . 14.8 mtp-105 -28.04 117.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -68.51 169.37 11.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.29 178.14 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -37.95 156.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -48.67 162.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -106.74 178.52 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 105' ' ' LEU . 16.2 ttm180 -42.39 150.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.47 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 10.5 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 p -121.08 176.43 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 t 41.95 42.72 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.2 179.84 17.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.5 t -137.28 139.29 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.8 m -117.15 161.57 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.42 -172.75 18.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 13.7 m-70 -76.13 175.6 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -83.12 44.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 72.9 m-85 -51.23 148.59 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -153.57 147.04 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.57 127.69 33.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 41' ' ' ARG . 15.4 ttm180 -150.71 143.26 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -75.02 125.98 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.12 106.8 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -38.48 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -92.18 153.65 43.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 85.6 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.609 HG22 ' H ' ' A' ' 48' ' ' PHE . 8.5 m -55.06 169.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.609 ' H ' HG22 ' A' ' 47' ' ' THR . 73.0 t80 -115.45 116.25 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -74.57 112.81 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.0 m -77.86 38.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -134.84 -48.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.0 p -120.11 26.04 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' CYS . 54.6 p 36.26 51.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -125.92 171.57 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.13 151.77 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.592 HG12 ' CD2' ' A' ' 74' ' ' HIS . 18.0 mt -114.69 93.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -144.21 179.09 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.21 123.17 2.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -39.42 136.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.21 -43.95 2.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 74' ' ' HIS . 21.8 tttt -77.64 103.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -116.38 172.56 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.11 175.18 19.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD11 ' HG2' ' A' ' 75' ' ' ARG . 5.9 mt -128.95 111.29 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 12.1 tp60 -88.89 132.89 34.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -81.0 130.59 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -83.93 29.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 41.1 t -131.77 -59.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 p -115.37 27.02 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 m 41.19 31.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 73' ' ' VAL . 48.2 t80 -87.95 106.94 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.8 p -108.39 139.5 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 71' ' ' PHE . 31.0 m -159.92 150.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' HG12 ' A' ' 56' ' ' ILE . 35.4 m80 -39.8 161.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.508 ' HG2' HD11 ' A' ' 64' ' ' LEU . 18.8 mtm180 -62.49 -37.62 86.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptm85 -73.32 -44.47 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.761 ' O ' HG23 ' A' ' 81' ' ' VAL . 57.9 m -60.61 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.604 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -46.58 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -48.68 -47.94 40.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -50.39 -42.35 53.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 77' ' ' CYS . 75.6 t -39.58 118.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -96.53 -39.25 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 36.2 t80 -42.98 157.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -110.49 123.18 49.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 6.5 t -48.76 133.83 14.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.674 0.75 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.27 16.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -87.51 -55.02 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -53.72 105.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.47 151.86 9.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -42.18 126.07 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.44 170.5 26.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -24.11 29.89 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.91 122.87 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -58.75 102.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.57 160.03 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.98 107.43 22.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.698 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.9 34.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.07 140.81 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -123.22 163.45 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -40.11 116.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -51.82 134.64 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -126.27 162.48 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.85 169.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -75.86 170.8 15.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 105' ' ' LEU . 4.1 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 m -83.76 142.54 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -46.03 -62.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.88 71.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -145.81 110.23 5.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 m -95.33 148.04 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.87 166.66 14.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.2 m-70 -55.01 172.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -79.04 69.95 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 61.8 m-85 -79.47 139.45 37.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 t -149.33 121.44 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.97 125.02 19.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -147.89 167.1 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.04 134.04 34.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -117.09 125.22 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -79.76 -40.97 27.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -100.72 154.92 36.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 79.0 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.791 ' CG2' HG11 ' A' ' 72' ' ' VAL . 6.5 m -49.13 156.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 54' ' ' ASP . 13.4 t80 -112.86 143.85 43.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.7 t -87.44 109.85 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -80.42 38.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -134.7 -48.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.59 19.97 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 53' ' ' THR . 18.3 m 41.94 52.61 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 51.0 m-20 -128.47 166.48 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.09 139.29 34.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 74' ' ' HIS . 12.2 mt -100.32 70.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.6 t-105 -150.65 148.1 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.41 -144.52 14.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -48.47 -62.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.97 114.59 3.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.07 92.52 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -115.82 107.75 15.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.22 124.85 2.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.837 HD11 ' HD3' ' A' ' 75' ' ' ARG . 20.8 mt -106.79 115.2 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -99.48 144.21 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -84.69 135.14 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -85.04 29.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.641 HG11 ' H ' ' A' ' 88' ' ' ALA . 36.2 t -134.37 -59.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 24.3 p -111.73 25.65 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.6 p 39.95 32.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 73' ' ' VAL . 91.0 t80 -84.68 109.97 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.791 HG11 ' CG2' ' A' ' 47' ' ' THR . 9.7 p -106.82 140.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 33.7 m -157.95 151.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 56' ' ' ILE . 32.0 m80 -43.04 167.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.837 ' HD3' HD11 ' A' ' 64' ' ' LEU . 7.5 mmt180 -67.61 -48.16 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptp180 -70.51 -41.27 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 30.4 m -53.44 -29.27 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -40.59 -68.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -49.48 -42.22 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 77' ' ' CYS . 61.5 m-85 -59.25 -38.14 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PHE . 92.7 t -37.64 117.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.0 p -100.93 -47.16 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 44.5 t80 -42.97 151.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 8.2 mm-40 -104.26 132.45 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.37 133.71 70.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -85.89 -72.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.641 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -39.41 143.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.2 -111.58 1.83 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.44 129.55 55.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.35 80.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.99 30.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -136.21 148.86 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 p -149.74 171.08 17.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.18 136.75 37.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 98' ' ' ARG . 3.0 p30 -126.74 141.45 40.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 10.7 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 96' ' ' ASP . 11.9 ttt-85 -69.51 90.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -84.23 174.86 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -39.48 119.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 30.2 p-80 -55.77 117.67 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -40.69 127.47 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -82.82 135.3 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -45.39 144.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -66.7 -55.49 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 p -50.31 154.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.42 87.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.8 p -116.31 104.97 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 m -154.3 172.56 17.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.5 -166.96 29.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -82.59 164.37 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -80.19 75.4 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.4 m-85 -78.7 133.51 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -135.5 115.17 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.12 128.25 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.16 128.91 9.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.486 ' CE2' ' HE3' ' A' ' 61' ' ' LYS . 8.3 m-85 -56.92 136.75 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -120.63 125.15 47.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.51 -39.94 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.81 153.95 37.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.77 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.672 HG21 HG11 ' A' ' 72' ' ' VAL . 24.7 m -55.61 162.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 47.1 t80 -107.91 123.25 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.1 t -77.34 114.62 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -79.99 34.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -134.5 -42.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 53' ' ' THR . 27.8 p -122.78 28.7 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p 30.65 43.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -125.37 156.61 38.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -85.78 140.12 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.2 mt -92.44 79.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 70.0 t-105 -150.12 166.81 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' ILE . . . 84.8 -91.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' GLY . 15.4 tt -33.26 -42.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' HG23 ' A' ' 59' ' ' ILE . . . 156.07 -176.6 33.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HE3' ' CE2' ' A' ' 42' ' ' PHE . 31.6 mtmm -84.09 78.47 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -116.27 46.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.53 107.15 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 75' ' ' ARG . 11.3 mt -106.04 109.98 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.702 0.286 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -92.12 141.41 28.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.3 t -83.88 131.99 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.16 31.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.493 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.9 t -133.72 -59.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.5 p -115.18 26.62 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 m 43.0 30.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t80 -84.72 102.5 13.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.672 HG11 HG21 ' A' ' 47' ' ' THR . 8.3 p -107.67 131.93 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' HIS . 27.3 m -150.75 153.14 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CD2' HG12 ' A' ' 56' ' ' ILE . 49.2 m80 -39.06 159.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.499 ' HG2' HD11 ' A' ' 64' ' ' LEU . 32.9 mtt180 -60.48 -50.5 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 3.0 ptt-85 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 34.3 m -57.43 -31.94 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.474 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -43.13 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 9.4 pt-20 -44.88 -40.06 5.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.5 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 39.8 m-85 -62.62 -36.19 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.7 t -38.52 133.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.6 p -117.64 -42.99 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -43.24 140.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -90.8 120.1 31.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.28 133.83 12.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.434 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.4 Cg_endo -69.76 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.493 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -69.87 -66.45 2.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -51.46 147.69 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.74 -157.47 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -97.27 143.03 28.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -126.74 -166.11 12.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 178.71 4.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.33 147.21 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.3 m -49.15 142.49 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -140.48 153.96 46.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 8.0 m-20 -105.44 99.98 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 96' ' ' ASP . 53.9 Cg_endo -69.78 -27.13 26.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -89.81 40.18 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -55.67 -35.25 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 166.0 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -104.51 153.91 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -75.79 155.62 35.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -142.06 174.37 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -109.12 140.61 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 105' ' ' LEU . 10.3 tt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -81.77 108.69 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.9 p -96.48 41.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.76 -171.62 37.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . 88.1 p -80.63 45.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' SER . 74.1 m -35.2 139.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.11 166.13 23.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -63.04 174.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -91.53 82.76 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 78.0 m-85 -83.16 147.82 27.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 39' ' ' THR . 8.9 t -147.7 121.61 9.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.23 129.19 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -152.42 139.82 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.94 127.14 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -109.94 100.33 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -62.19 -39.64 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 5.5 mm100 -98.83 161.49 24.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 53.4 Cg_endo -69.77 115.47 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.808 HG21 HG21 ' A' ' 72' ' ' VAL . 7.1 m -89.26 166.19 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' N ' HG22 ' A' ' 47' ' ' THR . 27.6 t80 -119.08 146.63 44.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -95.03 109.49 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 p -80.26 39.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -134.91 -53.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.7 p -112.53 23.6 13.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 53' ' ' THR . 25.1 m 35.21 50.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 12.1 t70 -130.95 161.76 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 57' ' ' TRP . 9.2 p90 -75.38 148.81 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 74' ' ' HIS . 49.3 mt -100.26 -37.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.547 ' CZ3' ' HE2' ' A' ' 61' ' ' LYS . 40.8 t-105 -61.55 134.58 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.49 -139.82 6.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.35 93.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.36 166.98 31.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.547 ' HE2' ' CZ3' ' A' ' 57' ' ' TRP . 28.0 mmtp -117.99 92.12 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 75' ' ' ARG . 58.3 mt-30 -121.92 90.21 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.93 109.25 0.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.909 HD11 ' HD2' ' A' ' 75' ' ' ARG . 18.1 mt -112.86 112.53 24.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -96.4 124.82 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.97 131.1 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -81.98 29.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.49 HG11 ' H ' ' A' ' 88' ' ' ALA . 27.1 t -132.08 -58.2 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 6.3 p -114.1 22.86 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 32.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CE2' HG11 ' A' ' 73' ' ' VAL . 26.2 t80 -83.92 104.09 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 47' ' ' THR . 3.1 p -106.67 129.17 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.1 m -148.79 159.03 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.615 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.0 m80 -46.42 150.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.909 ' HD2' HD11 ' A' ' 64' ' ' LEU . 4.7 mmm180 -56.96 -21.74 32.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -87.7 -45.09 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.4 m -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.601 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.41 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 13.9 pt-20 -46.4 -45.13 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 81' ' ' VAL . 28.9 m-85 -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' PHE . 83.6 t -36.97 124.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -110.03 -36.85 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 22.4 t80 -45.5 140.41 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 12.0 tt0 -84.82 137.08 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.761 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 9.1 t -65.53 133.3 95.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.485 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.76 -46.23 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.99 -51.77 6.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -50.68 122.14 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.75 -71.18 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' GLY . 43.5 tptt -104.96 88.88 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -34.8 100.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 134.89 29.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.14 111.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.7 p -141.37 148.4 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.48 88.22 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.1 p30 -60.64 115.5 13.98 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.77 15.45 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 97' ' ' PRO . 38.7 ttp180 -33.03 146.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.38 143.25 57.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -60.38 160.2 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.65 125.02 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -54.32 161.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -113.64 131.97 55.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -47.77 164.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -162.12 115.22 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -42.22 139.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.07 59.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 t -155.72 147.63 23.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -107.95 146.21 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.21 177.96 20.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -55.81 174.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -87.7 76.16 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.468 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 26.4 m-85 -82.57 130.16 35.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 39' ' ' THR . 9.7 t -131.76 108.82 9.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -42.93 122.99 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -154.61 134.22 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -65.6 143.45 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -117.61 123.71 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 45' ' ' GLN . 26.7 pttt -80.88 -40.12 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 37.3 mt-30 -94.23 157.48 37.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.5 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.72 ' CG2' HG11 ' A' ' 72' ' ' VAL . 16.6 m -69.67 145.89 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' C ' ' A' ' 53' ' ' THR . 17.7 t80 -104.54 147.83 27.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 t -89.21 110.74 21.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -79.8 38.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -133.18 -52.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 22.5 p -112.68 23.73 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.48 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 9.8 t 38.13 49.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 35.5 m-20 -130.6 162.72 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -84.22 154.32 23.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.6 mt -104.21 -44.29 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.596 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -58.0 135.25 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.64 -113.33 0.75 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 59' ' ' ILE . 6.2 tt -65.54 78.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.106 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.79 94.52 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.596 ' HD3' ' CE3' ' A' ' 57' ' ' TRP . 32.3 mtmt -57.29 112.16 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HB3' ' CD ' ' A' ' 75' ' ' ARG . 8.1 mm-40 -149.0 111.81 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.99 147.29 17.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 40' ' ' ALA . 22.1 mt -118.83 112.62 19.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.943 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -96.24 137.96 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.03 134.88 35.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.06 24.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -129.92 -59.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.3 p -112.99 29.38 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' CYS . 16.5 m 33.96 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' CYS . 46.8 t80 -88.35 103.83 16.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.72 HG11 ' CG2' ' A' ' 47' ' ' THR . 8.7 p -104.29 131.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.2 m -152.07 151.52 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 56' ' ' ILE . 26.3 m80 -41.3 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -63.02 -50.27 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 5.7 ptp180 -62.03 -32.28 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.669 ' O ' HG23 ' A' ' 81' ' ' VAL . 21.5 m -68.93 -42.86 76.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -36.75 -66.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 14.4 pt-20 -55.46 -49.12 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 76' ' ' ARG . 17.5 m-85 -51.58 -36.18 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 77' ' ' CYS . 72.3 t -45.23 135.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.5 p -117.92 -43.39 2.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 84' ' ' GLU . 8.4 t80 -37.03 146.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 8.0 pt-20 -96.99 117.36 30.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.2 t -41.02 134.64 1.74 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.76 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.63 -46.92 22.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -71.17 -54.71 10.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.26 170.34 30.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -117.39 91.58 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.44 50.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 152.46 69.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -91.76 144.35 25.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -82.08 153.7 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.6 125.89 31.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.2 p-10 -45.59 120.42 4.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.9 Cg_endo -69.7 15.33 0.23 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 97' ' ' PRO . 7.8 ptp85 -30.11 142.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -108.66 -177.99 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -59.25 178.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.83 170.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -76.02 164.24 26.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 104' ' ' ARG . 34.3 t80 -87.92 175.57 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' CD2' ' A' ' 103' ' ' PHE . 2.0 ttt180 -53.59 169.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.517 ' C ' HD13 ' A' ' 105' ' ' LEU . 1.1 tm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.9 p -67.86 100.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 158.49 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -131.04 9.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -80.96 145.17 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -128.67 135.84 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 165.78 6.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.97 171.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -78.65 43.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CD2' ' CG ' ' A' ' 78' ' ' HIS . 47.0 m-85 -51.05 121.42 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 39' ' ' THR . 9.5 t -133.96 120.6 20.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.24 124.26 18.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -144.87 150.47 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.19 131.04 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.58 ' CZ ' ' HD2' ' A' ' 41' ' ' ARG . 3.4 m-85 -117.94 151.5 37.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -114.36 -44.94 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.419 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 7.7 pt20 -94.11 155.11 40.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.5 Cg_endo -69.81 81.56 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.639 ' CG2' HG11 ' A' ' 72' ' ' VAL . 32.4 m -50.32 160.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' N ' HG22 ' A' ' 47' ' ' THR . 6.3 t80 -104.87 125.76 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.13 104.54 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -77.17 39.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.407 ' HB2' HG11 ' A' ' 73' ' ' VAL . 19.6 t60 -133.94 -48.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 26.8 p -122.23 28.0 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 53' ' ' THR . 57.3 m 37.46 53.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 25.7 m-20 -135.18 160.17 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.48 148.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 74' ' ' HIS . 63.2 mt -108.03 91.98 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -145.6 149.68 34.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 145.42 171.82 15.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.19 116.14 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.42 -79.15 0.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.03 130.0 38.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.6 175.26 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.482 ' CA ' HG21 ' A' ' 56' ' ' ILE . . . -99.57 138.7 14.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -95.99 114.28 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.15 142.08 28.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.5 t -88.4 136.25 33.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.68 30.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.681 HG11 ' H ' ' A' ' 88' ' ' ALA . 40.0 t -133.17 -65.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 9.7 p -107.35 25.04 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.51 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.424 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 65.8 t80 -83.78 106.84 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.639 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.3 p -113.96 127.66 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' HIS . 27.1 m -145.25 153.75 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.596 ' CD2' HG12 ' A' ' 56' ' ' ILE . 34.7 m80 -34.31 152.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 30.6 ttt180 -53.51 -48.31 69.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 26.9 ptt-85 -69.24 -50.54 46.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 20.4 m -41.47 -39.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.511 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -41.09 -71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.82 -38.53 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 77' ' ' CYS . 24.6 m-85 -69.04 -35.84 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 78' ' ' HIS . 76.2 t -41.67 132.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -114.54 -44.06 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -43.1 122.38 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -73.6 133.85 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.19 133.62 84.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -52.57 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.453 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -66.07 -89.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.681 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -33.79 150.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.73 124.69 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -113.0 85.92 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.85 -108.56 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.37 50.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -50.26 139.15 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -122.34 146.44 47.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -103.43 81.18 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.3 p-10 -136.52 154.71 76.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' ARG . 54.2 Cg_endo -69.73 20.52 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.471 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.7 ptm180 -32.86 150.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -64.72 120.76 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -55.25 116.67 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -123.11 143.34 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -63.25 138.34 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.72 177.18 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -128.09 156.13 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 105' ' ' LEU . 5.0 tt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 35.9 m-70 -84.6 176.61 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -82.01 40.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 69.7 m-85 -50.46 137.02 19.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -162.52 130.62 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.15 127.15 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -149.87 122.55 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -51.8 139.51 21.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -123.36 88.75 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.48 -27.87 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.437 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 43.3 mt-30 -107.23 160.14 27.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 92.62 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.466 ' CG2' HG11 ' A' ' 72' ' ' VAL . 21.5 m -64.73 150.21 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.463 ' CD1' ' C ' ' A' ' 48' ' ' PHE . 4.9 t80 -123.74 117.14 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.01 121.46 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.8 t -95.34 43.36 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -134.51 -60.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.67 -13.69 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 53' ' ' THR . 11.0 m 71.61 47.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -132.41 171.47 13.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -87.34 158.95 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.0 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -114.81 112.95 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.13 135.11 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.62 133.3 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -85.99 27.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 25.5 t -129.61 -59.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 18.6 p -112.29 23.11 14.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 40.69 38.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.464 ' CE2' HG11 ' A' ' 73' ' ' VAL . 32.2 t80 -96.22 98.21 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -96.49 128.69 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.464 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 m -140.62 143.95 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.584 ' CD2' HG12 ' A' ' 56' ' ' ILE . 67.0 m80 -40.26 161.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -54.74 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 17.6 ptt180 -71.2 -38.35 72.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.745 ' O ' HG23 ' A' ' 81' ' ' VAL . 57.7 m -59.98 -33.2 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -45.81 -64.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 12.7 pt-20 -57.86 -43.44 85.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.476 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 15.3 m-85 -55.63 -39.24 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 77' ' ' CYS . 77.3 t -39.18 134.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -119.64 -28.84 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 24.2 t80 -53.23 149.56 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -98.31 115.67 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.07 133.88 7.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 Cg_endo -69.75 -29.07 24.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.454 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -102.6 -48.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 9.3 m-70 -75.66 171.7 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -78.52 81.46 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 36' ' ' HIS . 62.9 m-85 -93.58 154.34 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -147.59 111.68 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.41 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . . . -47.97 121.17 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -153.34 146.41 24.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -77.48 131.48 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.81 122.94 46.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -38.32 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -95.13 152.73 39.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.13 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.58 HG22 ' N ' ' A' ' 48' ' ' PHE . 18.5 m -77.23 166.64 22.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' N ' HG22 ' A' ' 47' ' ' THR . 33.3 t80 -117.65 132.21 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -80.04 116.78 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.4 m -86.01 39.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.429 ' C ' ' CD2' ' A' ' 51' ' ' HIS . 4.0 t60 -134.26 -52.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.5 14.58 21.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 m 44.15 54.14 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -137.22 165.05 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.82 155.27 33.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 74' ' ' HIS . 40.8 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 18.7 mt -123.38 120.02 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.38 145.36 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.6 t -88.13 129.23 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -86.98 26.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.628 HG23 ' HB3' ' A' ' 37' ' ' LYS . 37.9 t -126.68 -48.71 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.9 21.86 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m 47.94 25.05 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CE2' HG11 ' A' ' 73' ' ' VAL . 70.2 t80 -86.24 107.54 17.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' C ' HG13 ' A' ' 73' ' ' VAL . 4.1 p -107.94 144.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.498 HG11 ' CE2' ' A' ' 71' ' ' PHE . 17.5 m -157.11 150.6 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.8 m80 -41.88 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -60.34 -47.64 85.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -68.17 -30.8 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' HIS . 35.1 m -69.28 -39.23 78.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.485 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -33.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 11.0 pt-20 -52.54 -45.87 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -53.01 -33.42 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.6 t -41.31 136.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.7 p -115.39 -47.07 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -45.8 135.38 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -82.77 139.9 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.583 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.5 t -66.66 133.76 94.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -68.55 -58.97 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.8 m-70 -54.02 173.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -89.74 73.15 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 68.2 m-85 -81.15 145.51 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -158.65 148.68 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 126.19 23.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -148.15 119.44 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -56.12 148.66 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -144.66 106.14 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -79.46 -24.41 42.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -99.44 157.39 34.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 81.91 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.49 ' HB ' HD12 ' A' ' 56' ' ' ILE . 4.8 m -46.19 159.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 47' ' ' THR . 51.1 t80 -121.74 108.63 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.0 t -61.4 125.92 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.586 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 73.3 m -97.48 28.98 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 12.5 t60 -124.69 -46.33 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.53 -1.32 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 53' ' ' THR . 51.8 m 61.5 54.88 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -144.23 168.41 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.23 152.53 26.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' A' ' 74' ' ' HIS . 60.7 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.38 126.4 26.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -110.59 148.61 31.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.9 t -90.71 121.32 32.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -72.83 2.55 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.72 -62.36 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 p -108.8 25.22 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m 40.95 27.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 61.6 t80 -87.27 118.77 26.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.2 p -118.55 149.29 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 72' ' ' VAL . 35.9 m -161.24 157.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.536 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.1 m80 -42.57 148.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.16 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.05 -45.68 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 81' ' ' VAL . 43.9 m -50.36 -20.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.536 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.1 -67.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.42 -29.22 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.452 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 12.0 m-85 -73.79 -28.5 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 77' ' ' CYS . 49.4 t -46.02 118.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -111.22 0.74 16.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -83.55 133.11 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.65 129.11 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 8.6 t -63.9 133.8 95.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.98 17.5 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.64 -48.37 2.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.8 m-70 -89.98 174.15 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -80.93 42.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 59.8 m-85 -50.04 153.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -172.71 138.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 120.78 11.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -134.12 119.71 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -52.6 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -99.59 127.35 45.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -91.83 -41.36 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 6.5 pt20 -88.11 155.14 52.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.9 Cg_endo -69.77 79.97 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 48' ' ' PHE . 16.1 m -54.5 163.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 53' ' ' THR . 14.0 t80 -120.98 130.12 53.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.9 t -78.02 119.06 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -87.25 33.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -129.16 -46.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.3 p -123.02 26.94 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 9.7 t 34.52 55.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 6.9 m-20 -136.72 158.04 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -80.63 143.64 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.599 HG12 ' CD2' ' A' ' 74' ' ' HIS . 20.2 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.434 ' HA3' HG21 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.31 127.09 52.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -105.95 142.96 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.6 t -86.27 133.78 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -87.87 29.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.99 -64.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.4 p -107.44 22.8 15.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.38 27.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CE2' HG11 ' A' ' 73' ' ' VAL . 64.3 t80 -82.48 102.25 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 5.6 p -101.41 146.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 21.3 m -160.96 149.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.599 ' CD2' HG12 ' A' ' 56' ' ' ILE . 44.0 m80 -35.74 153.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -53.66 -45.2 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 22.0 ptt-85 -74.48 -44.24 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.621 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.7 m -49.24 -25.74 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.638 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.2 t-160 -48.21 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 10.2 pt-20 -49.24 -38.32 26.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.422 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 50.9 m-85 -62.62 -35.86 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 77' ' ' CYS . 76.7 t -40.38 135.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.5 p -116.22 -45.17 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -40.98 148.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -99.41 125.5 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.645 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.1 t -52.6 133.74 45.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.6 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.645 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 13.3 m-70 -65.01 -178.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -80.58 42.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 71.4 m-85 -51.07 147.93 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -159.47 141.51 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.96 126.03 25.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -140.39 131.63 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -72.66 114.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.2 124.91 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.64 -44.94 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 8.6 mm100 -84.18 161.58 54.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 54.0 Cg_endo -69.76 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.1 m -55.84 147.36 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 40.5 t80 -108.6 127.25 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.63 113.16 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 3.6 t -79.21 39.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -134.45 -47.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.68 23.88 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 64.7 p 38.92 43.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.35 155.28 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -77.32 150.61 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.604 HG12 ' CD2' ' A' ' 74' ' ' HIS . 21.1 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.37 118.33 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -99.86 144.26 29.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 t -86.78 132.88 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.27 30.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.557 HG11 ' H ' ' A' ' 88' ' ' ALA . 15.9 t -134.81 -60.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 8.0 p -110.84 24.68 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.9 m 40.1 34.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 17.8 t80 -89.69 104.56 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.25 129.3 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.541 HG21 ' CG2' ' A' ' 81' ' ' VAL . 35.2 m -144.18 146.12 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CD2' HG12 ' A' ' 56' ' ' ILE . 42.0 m80 -38.38 158.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.35 -47.13 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.5 m -57.3 -30.9 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.696 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.9 t-80 -44.92 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -52.68 -42.72 65.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.64 -39.79 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 77' ' ' CYS . 89.7 t -39.29 113.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.5 p -97.33 -37.31 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 28.8 t80 -45.37 136.85 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -88.28 114.33 24.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 16.4 t -41.81 134.22 2.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.75 -26.31 27.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -100.75 -60.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 19.6 m-70 -61.54 179.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -97.31 52.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CB ' HD12 ' A' ' 64' ' ' LEU . 63.2 m-85 -58.85 166.15 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 39' ' ' THR . 2.7 t -158.59 105.3 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.75 111.66 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -137.4 135.68 37.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -49.08 150.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.92 91.71 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.85 -27.58 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -121.17 157.7 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 53.2 Cg_endo -69.79 131.54 21.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.644 HG22 ' H ' ' A' ' 48' ' ' PHE . 1.1 m -112.11 174.0 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.644 ' H ' HG22 ' A' ' 47' ' ' THR . 37.7 t80 -123.02 138.5 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.469 ' CA ' HD11 ' A' ' 56' ' ' ILE . 12.9 t -83.07 112.94 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.3 m -77.38 9.26 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 56.6 t60 -106.31 -54.12 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' THR . 31.2 p -107.95 22.84 15.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' CYS . 72.0 p 33.29 54.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.93 154.22 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 46' ' ' PRO . 2.4 t80 -64.89 154.11 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.469 HD11 ' CA ' ' A' ' 49' ' ' CYS . 72.5 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.74 HD12 ' CB ' ' A' ' 38' ' ' PHE . 3.9 mm? -111.33 97.0 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -93.02 111.15 22.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.81 132.26 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.67 29.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.865 HG11 ' H ' ' A' ' 88' ' ' ALA . 15.9 t -128.6 -69.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 5.1 p -97.8 5.38 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m 64.12 30.64 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 9.5 t80 -81.94 109.36 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.549 HG11 ' CG2' ' A' ' 47' ' ' THR . 9.2 p -107.98 119.4 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.401 HG11 ' CE2' ' A' ' 71' ' ' PHE . 20.0 m -143.86 146.32 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.435 ' NE2' HG12 ' A' ' 56' ' ' ILE . 37.8 m80 -39.88 158.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' HD21 ' A' ' 64' ' ' LEU . 2.2 tmm_? -66.48 -31.11 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.62 -18.43 54.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' HIS . 66.2 m -92.19 -30.33 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -34.24 -63.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.2 pt-20 -56.48 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' VAL . 25.9 m-85 -42.32 -49.9 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 80' ' ' PHE . 61.3 t -32.75 143.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.8 p -129.76 -34.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -45.99 127.33 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.82 133.09 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.05 133.71 95.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.471 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -93.23 -53.79 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.865 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -76.53 177.02 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -78.65 44.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 64' ' ' LEU . 53.4 m-85 -54.89 140.69 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 t -156.58 141.02 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.73 122.69 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -136.02 131.05 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.46 117.92 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.53 111.01 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -76.11 -34.16 59.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -103.99 161.73 22.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 90.22 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.71 ' HB ' HD12 ' A' ' 56' ' ' ILE . 3.5 m -59.13 147.18 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.38 136.38 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 t -90.48 118.16 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 37.2 m -84.17 25.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.492 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 28.2 t60 -122.05 -49.72 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' THR . 25.7 p -116.5 25.97 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 9.9 t 33.72 54.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.86 160.79 37.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -77.72 155.82 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.71 HD12 ' HB ' ' A' ' 47' ' ' THR . 28.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 38' ' ' PHE . 10.8 mt -120.83 120.87 36.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -90.15 137.54 32.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.3 t -85.24 130.92 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -85.54 27.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.445 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 44.8 t -129.63 -58.19 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 6.6 p -115.47 25.67 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m 44.57 25.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 25.5 t80 -81.74 100.89 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 47' ' ' THR . 6.2 p -106.84 124.46 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.3 m -142.34 153.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.6 ' CD2' HG12 ' A' ' 56' ' ' ILE . 39.0 m80 -40.32 158.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -60.78 -53.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 6.6 ptm180 -58.25 -33.61 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' VAL . 56.7 m -69.12 -36.65 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -36.16 -34.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 3.8 pt-20 -88.15 -40.06 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.492 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 28.9 m-85 -61.57 -32.79 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 77' ' ' CYS . 64.5 t -42.91 120.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 t -100.03 -28.5 13.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 84' ' ' GLU . 11.7 t80 -64.7 135.39 55.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 7.2 mm-40 -87.92 138.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.7 t -59.15 131.77 87.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.739 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.417 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -67.01 -54.09 23.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 30.6 m-70 -54.05 176.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -81.26 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 57.6 m-85 -50.23 129.95 22.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -142.24 117.66 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.33 125.75 24.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -146.02 162.51 37.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 122.98 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -105.76 97.82 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -58.0 -44.1 87.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -102.43 154.16 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.57 HG21 HG21 ' A' ' 72' ' ' VAL . 52.2 m -91.44 154.77 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE1' ' C ' ' A' ' 54' ' ' ASP . 12.3 t80 -99.8 158.62 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -98.27 112.04 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t -82.09 37.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -134.14 -52.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.6 p -115.36 28.59 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 27.9 p 34.3 54.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' C ' ' CE1' ' A' ' 48' ' ' PHE . 44.8 m-20 -136.45 165.97 24.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -87.17 141.51 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 38' ' ' PHE . 17.7 mt -127.45 107.22 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 70' ' ' SER . 1.6 tp60 -90.21 117.71 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.19 135.67 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -85.69 31.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 31.9 t -134.16 -61.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.422 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 10.2 p -111.09 22.47 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.544 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 3.0 t 41.29 41.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 19.2 t80 -91.33 94.54 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 47' ' ' THR . 9.7 p -97.02 118.55 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' HIS . 35.0 m -140.5 154.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' VAL . 33.6 m80 -35.69 144.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -39.24 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -37.31 58.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.2 m -59.72 -21.5 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.499 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.75 -71.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 8.4 pt-20 -42.91 -38.87 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 76.7 m-85 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 77' ' ' CYS . 93.9 t -35.71 103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -91.89 -30.52 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 34.0 t80 -49.93 142.97 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.08 119.52 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 12.1 t -45.39 133.99 5.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.422 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.6 Cg_endo -69.79 -41.63 4.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.35 -64.08 2.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 14.1 m-70 -57.37 174.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -78.02 44.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 53.0 m-85 -51.11 134.47 26.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -138.55 123.59 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -56.66 122.42 12.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -155.09 137.88 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -68.93 150.34 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.61 101.51 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -48.5 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -93.55 162.61 27.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.92 3.21 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -89.64 150.9 22.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 23.3 t80 -102.46 126.72 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -77.79 113.46 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -80.76 37.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -133.24 -48.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -119.83 24.66 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 47.1 p 37.93 47.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.18 163.45 27.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -78.54 149.99 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.61 HG12 ' CD2' ' A' ' 74' ' ' HIS . 68.1 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 40' ' ' ALA . 11.8 mt -138.73 117.74 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.454 ' OE1' ' C ' ' A' ' 70' ' ' SER . 4.6 tp-100 -94.74 143.41 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.408 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.5 t -89.22 133.63 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -84.95 32.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.6 t -135.0 -64.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 22.7 p -110.67 25.36 11.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.454 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 76.6 p 41.26 37.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.453 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 66.4 t80 -91.35 101.58 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.09 137.13 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 81' ' ' VAL . 35.1 m -153.05 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.61 ' CD2' HG12 ' A' ' 56' ' ' ILE . 36.2 m80 -35.44 153.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -57.17 -38.14 73.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -75.66 -39.79 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 35.4 m -60.55 -33.54 72.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.642 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -38.45 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 16.8 pt-20 -44.77 -45.59 10.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.444 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 35.7 m-85 -56.74 -39.78 74.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 73' ' ' VAL . 89.2 t -35.69 115.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -96.95 -51.02 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 33.1 t80 -43.48 145.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 6.0 mm-40 -95.18 152.36 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 11.7 t -76.88 133.86 69.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -52.24 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -57.86 -60.44 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -79.89 169.84 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -78.93 44.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 42.0 m-85 -50.28 123.72 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 t -138.49 124.43 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.41 135.53 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -152.0 147.77 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -82.0 128.36 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -118.05 107.5 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.02 -29.39 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -107.91 159.09 31.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.2 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.617 HG22 ' N ' ' A' ' 48' ' ' PHE . 25.6 m -54.96 167.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.617 ' N ' HG22 ' A' ' 47' ' ' THR . 37.3 t80 -117.25 142.52 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 43.2 t -86.68 116.75 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -82.82 19.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.457 ' HB2' HG11 ' A' ' 73' ' ' VAL . 56.8 t60 -115.72 -52.86 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.9 p -116.86 32.36 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.0 p 31.76 54.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 14.5 m-20 -123.35 -173.14 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -121.58 134.24 55.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.605 HG12 ' CD2' ' A' ' 74' ' ' HIS . 16.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 10.3 mt -114.53 114.5 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -101.57 130.04 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.3 t -72.77 125.82 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 17.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.5 t -119.18 -57.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 18.2 p -115.05 30.12 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' CYS . 52.6 p 37.63 32.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.428 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 72.0 t80 -85.62 101.08 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.481 HG11 ' CG2' ' A' ' 47' ' ' THR . 8.5 p -109.39 125.75 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 51' ' ' HIS . 30.4 m -143.5 155.61 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.605 ' CD2' HG12 ' A' ' 56' ' ' ILE . 28.5 m80 -34.8 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -58.66 -39.33 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -77.63 -43.46 31.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 81' ' ' VAL . 20.6 m -51.0 -34.45 29.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.433 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -42.62 -62.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.02 -28.74 67.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -77.7 -24.55 49.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 77' ' ' CYS . 47.0 t -48.64 144.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -120.5 -38.2 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -47.16 155.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.03 124.87 50.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 6.0 t -52.11 133.88 40.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.29 8.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.25 -67.59 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.6 m-70 -89.08 176.6 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 0.0 110.805 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -87.13 62.21 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 85.6 m-85 -66.66 159.62 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -158.06 118.37 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.77 122.76 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -148.75 121.03 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -53.26 121.4 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.51 135.29 43.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -99.24 -40.48 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.26 161.28 28.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.73 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.816 HG21 HG21 ' A' ' 72' ' ' VAL . 32.9 m -58.85 145.81 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 58.1 t80 -96.53 134.58 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.37 112.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -79.95 37.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -134.9 -53.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.2 p -115.44 28.89 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 31.1 m 34.2 53.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -123.41 -179.13 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -117.21 129.39 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 74' ' ' HIS . 17.8 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.2 118.39 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -100.77 137.41 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.412 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.9 t -79.52 134.41 36.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -88.06 32.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.475 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 29.6 t -134.94 -60.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.407 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 12.7 p -113.77 24.69 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m 44.84 29.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CE2' HG11 ' A' ' 73' ' ' VAL . 65.9 t80 -83.64 102.22 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.816 HG21 HG21 ' A' ' 47' ' ' THR . 5.4 p -106.69 136.23 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' HIS . 20.3 m -156.21 152.28 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.593 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.6 m80 -34.76 152.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -58.12 -42.6 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 14.4 ptt180 -74.46 -45.76 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.7 m -48.23 -33.64 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -39.94 -68.54 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 5.0 pt-20 -50.64 -36.12 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.487 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.9 m-85 -68.18 -35.93 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 77' ' ' CYS . 90.3 t -43.77 138.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 83' ' ' PHE . 9.6 t -113.83 -43.03 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.44 ' N ' HG23 ' A' ' 82' ' ' THR . 18.4 t80 -45.95 136.94 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.05 143.95 26.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 t -65.2 130.13 94.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.407 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 54.1 Cg_endo -69.75 -37.47 9.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.475 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -84.8 -53.93 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 45.9 m-70 -89.99 164.25 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -82.34 68.19 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -72.5 133.11 44.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -139.35 140.12 37.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -45.54 116.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 43' ' ' PHE . 3.5 tpp180 -132.31 130.82 41.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.31 137.32 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 41' ' ' ARG . 17.9 m-85 -137.17 110.93 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -68.48 -40.93 80.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.461 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 1.2 pt20 -97.56 156.51 36.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.7 Cg_endo -69.74 87.03 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 m -56.38 152.86 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 35.8 t80 -92.96 121.49 34.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 45.6 t -75.43 117.69 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.4 t -81.3 38.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 49' ' ' CYS . 33.4 t60 -134.72 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.5 p -120.29 28.76 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 41.7 p 34.65 50.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 7.4 m-20 -128.87 153.41 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -72.85 156.59 38.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.511 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt -114.31 115.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.45 121.0 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.34 130.75 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -83.78 29.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.46 HG11 ' H ' ' A' ' 88' ' ' ALA . 36.6 t -132.27 -63.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 p -109.16 26.04 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.61 28.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' HG11 ' A' ' 73' ' ' VAL . 88.4 t80 -80.92 105.58 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -105.64 128.67 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.725 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 35.5 m -153.09 155.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.511 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.2 m80 -38.28 159.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.7 ttt85 -63.25 -44.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 14.7 ptt180 -74.31 -42.93 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.638 ' O ' HG23 ' A' ' 81' ' ' VAL . 27.8 m -50.81 -29.19 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.05 -61.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 4.4 pt-20 -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.442 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 m-85 -67.4 -38.83 85.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 77' ' ' CYS . 97.6 t -43.37 117.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 p -92.04 -32.46 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.49 140.13 47.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.04 139.27 30.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 36' ' ' HIS . 8.7 t -59.92 133.61 89.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.69 -62.43 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.4 m-70 -80.8 177.67 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -85.39 42.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 65.7 m-85 -53.06 151.23 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -171.54 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.1 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.25 137.92 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.82 91.21 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -93.19 133.82 36.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -99.75 -38.93 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -92.75 160.29 34.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 92.77 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 48' ' ' PHE . 17.2 m -75.05 156.79 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.424 ' N ' HG22 ' A' ' 47' ' ' THR . 15.4 t80 -108.04 149.66 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.47 112.21 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 7.0 t -82.52 36.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.533 ' HB2' HG11 ' A' ' 73' ' ' VAL . 44.7 t60 -132.8 -48.57 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.54 23.95 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.595 ' O ' HG22 ' A' ' 53' ' ' THR . 25.3 m 37.71 42.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -124.53 169.35 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.05 147.68 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 74' ' ' HIS . 74.8 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 38' ' ' PHE . 24.2 mt -103.18 120.99 41.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.556 ' NE2' ' C ' ' A' ' 70' ' ' SER . 21.1 tp60 -96.67 121.51 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 t -70.94 136.39 48.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -90.82 32.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.39 -61.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.9 p -110.09 19.64 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.556 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 6.7 t 48.36 34.99 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 24.4 t80 -86.78 101.11 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.1 p -103.16 117.98 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 51' ' ' HIS . 28.2 m -143.11 154.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.9 m170 -35.98 154.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -59.93 -48.14 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 10.9 ptp180 -68.85 -39.55 79.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 21.2 m -55.42 -40.17 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.541 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.55 -71.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 6.9 pt-20 -48.89 -36.43 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.471 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.1 m-85 -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.8 t -42.35 119.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.0 p -89.48 -46.26 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 24.7 t80 -59.29 134.89 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 9.9 tt0 -84.26 166.39 17.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.11 132.42 67.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.91 5.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.61 -56.51 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.324 . . . . 0.0 111.106 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -83.91 178.38 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -79.28 43.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.9 m-85 -50.65 146.5 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 39' ' ' THR . 9.0 t -157.47 124.42 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.14 128.81 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -150.34 162.86 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -85.64 146.59 26.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -134.36 127.15 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -88.77 -45.37 9.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.19 153.72 54.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 86.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.504 ' CG2' HG11 ' A' ' 72' ' ' VAL . 45.8 m -65.35 153.18 41.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 53' ' ' THR . 16.5 t80 -108.78 148.06 31.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.28 110.24 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -79.72 38.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -134.14 -53.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.3 p -117.0 28.55 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.513 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 8.9 t 33.1 52.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.427 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 4.0 m-20 -130.22 161.38 31.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -75.31 158.2 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 74' ' ' HIS . 70.2 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.1 mt -90.44 125.11 35.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.713 0.292 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -106.14 147.91 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 32.8 t -92.68 133.01 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -83.95 29.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.869 HG11 ' H ' ' A' ' 88' ' ' ALA . 32.7 t -133.39 -59.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.0 p -112.36 25.55 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' CYS . 5.1 m 36.83 37.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE2' HG11 ' A' ' 73' ' ' VAL . 49.8 t80 -89.97 101.89 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.504 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -99.45 135.15 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 71' ' ' PHE . 21.8 m -154.1 153.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 56' ' ' ILE . 31.5 m170 -38.34 158.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -65.73 -44.83 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 6.4 ptp180 -69.05 -42.01 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 72.6 m -56.56 -34.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.631 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 3.1 t-160 -35.03 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.1 pt-20 -47.01 -48.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 79' ' ' GLU . 45.9 m-85 -51.78 -44.5 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' PHE . 88.8 t -35.67 125.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.4 p -107.23 -44.4 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.04 141.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -91.47 138.98 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -61.58 133.6 93.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.07 5.67 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -86.36 -72.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.869 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 13.7 m-70 -76.13 175.6 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -83.12 44.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 72.9 m-85 -51.23 148.59 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -153.57 147.04 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.57 127.69 33.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 41' ' ' ARG . 15.4 ttm180 -150.71 143.26 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -75.02 125.98 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.12 106.8 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -38.48 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -92.18 153.65 43.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 85.6 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.609 HG22 ' H ' ' A' ' 48' ' ' PHE . 8.5 m -55.06 169.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.609 ' H ' HG22 ' A' ' 47' ' ' THR . 73.0 t80 -115.45 116.25 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -74.57 112.81 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.0 m -77.86 38.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -134.84 -48.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.0 p -120.11 26.04 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' CYS . 54.6 p 36.26 51.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -125.92 171.57 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.13 151.77 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.592 HG12 ' CD2' ' A' ' 74' ' ' HIS . 18.0 mt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD11 ' HG2' ' A' ' 75' ' ' ARG . 5.9 mt -128.95 111.29 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.45 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 12.1 tp60 -88.89 132.89 34.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -81.0 130.59 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -83.93 29.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 41.1 t -131.77 -59.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 p -115.37 27.02 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 m 41.19 31.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 73' ' ' VAL . 48.2 t80 -87.95 106.94 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.569 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.8 p -108.39 139.5 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 71' ' ' PHE . 31.0 m -159.92 150.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' HG12 ' A' ' 56' ' ' ILE . 35.4 m80 -39.8 161.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.508 ' HG2' HD11 ' A' ' 64' ' ' LEU . 18.8 mtm180 -62.49 -37.62 86.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptm85 -73.32 -44.47 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.761 ' O ' HG23 ' A' ' 81' ' ' VAL . 57.9 m -60.61 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.604 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -46.58 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -48.68 -47.94 40.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -50.39 -42.35 53.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 77' ' ' CYS . 75.6 t -39.58 118.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -96.53 -39.25 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 36.2 t80 -42.98 157.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -110.49 123.18 49.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 6.5 t -48.76 133.83 14.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.674 0.75 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.27 16.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -87.51 -55.02 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.2 m-70 -55.01 172.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -79.04 69.95 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 61.8 m-85 -79.47 139.45 37.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 t -149.33 121.44 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.97 125.02 19.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -147.89 167.1 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.04 134.04 34.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -117.09 125.22 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -79.76 -40.97 27.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -100.72 154.92 36.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 79.0 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.791 ' CG2' HG11 ' A' ' 72' ' ' VAL . 6.5 m -49.13 156.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 54' ' ' ASP . 13.4 t80 -112.86 143.85 43.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.7 t -87.44 109.85 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -80.42 38.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 11.7 t60 -134.7 -48.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.59 19.97 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 53' ' ' THR . 18.3 m 41.94 52.61 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 51.0 m-20 -128.47 166.48 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.09 139.29 34.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 74' ' ' HIS . 12.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.837 HD11 ' HD3' ' A' ' 75' ' ' ARG . 20.8 mt -106.79 115.2 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -99.48 144.21 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -84.69 135.14 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -85.04 29.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.641 HG11 ' H ' ' A' ' 88' ' ' ALA . 36.2 t -134.37 -59.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 24.3 p -111.73 25.65 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.6 p 39.95 32.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 73' ' ' VAL . 91.0 t80 -84.68 109.97 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.791 HG11 ' CG2' ' A' ' 47' ' ' THR . 9.7 p -106.82 140.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 33.7 m -157.95 151.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 56' ' ' ILE . 32.0 m80 -43.04 167.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.837 ' HD3' HD11 ' A' ' 64' ' ' LEU . 7.5 mmt180 -67.61 -48.16 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptp180 -70.51 -41.27 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 30.4 m -53.44 -29.27 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -40.59 -68.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -49.48 -42.22 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.52 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 61.5 m-85 -59.25 -38.14 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PHE . 92.7 t -37.64 117.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.0 p -100.93 -47.16 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 44.5 t80 -42.97 151.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.475 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 8.2 mm-40 -104.26 132.45 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.37 133.71 70.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.433 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -85.89 -72.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.641 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -82.59 164.37 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -80.19 75.4 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.4 m-85 -78.7 133.51 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -135.5 115.17 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.12 128.25 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.16 128.91 9.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.92 136.75 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -120.63 125.15 47.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.51 -39.94 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.81 153.95 37.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.77 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.672 HG21 HG11 ' A' ' 72' ' ' VAL . 24.7 m -55.61 162.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 47.1 t80 -107.91 123.25 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.1 t -77.34 114.62 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -79.99 34.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -134.5 -42.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 53' ' ' THR . 27.8 p -122.78 28.7 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p 30.65 43.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -125.37 156.61 38.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -85.78 140.12 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.2 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 75' ' ' ARG . 11.3 mt -106.04 109.98 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.702 0.286 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -92.12 141.41 28.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.3 t -83.88 131.99 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.16 31.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.493 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.9 t -133.72 -59.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.5 p -115.18 26.62 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 m 43.0 30.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t80 -84.72 102.5 13.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.672 HG11 HG21 ' A' ' 47' ' ' THR . 8.3 p -107.67 131.93 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' HIS . 27.3 m -150.75 153.14 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CD2' HG12 ' A' ' 56' ' ' ILE . 49.2 m80 -39.06 159.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.499 ' HG2' HD11 ' A' ' 64' ' ' LEU . 32.9 mtt180 -60.48 -50.5 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 3.0 ptt-85 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 34.3 m -57.43 -31.94 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.474 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -43.13 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 9.4 pt-20 -44.88 -40.06 5.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.5 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 39.8 m-85 -62.62 -36.19 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.7 t -38.52 133.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.6 p -117.64 -42.99 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -43.24 140.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -90.8 120.1 31.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.28 133.83 12.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.434 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.4 Cg_endo -69.76 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.493 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -69.87 -66.45 2.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 111.101 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -63.04 174.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -91.53 82.76 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 78.0 m-85 -83.16 147.82 27.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 39' ' ' THR . 8.9 t -147.7 121.61 9.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.23 129.19 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -152.42 139.82 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.94 127.14 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -109.94 100.33 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -62.19 -39.64 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 5.5 mm100 -98.83 161.49 24.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 53.4 Cg_endo -69.77 115.47 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.808 HG21 HG21 ' A' ' 72' ' ' VAL . 7.1 m -89.26 166.19 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.524 ' N ' HG22 ' A' ' 47' ' ' THR . 27.6 t80 -119.08 146.63 44.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -95.03 109.49 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 p -80.26 39.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -134.91 -53.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.7 p -112.53 23.6 13.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 53' ' ' THR . 25.1 m 35.21 50.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 12.1 t70 -130.95 161.76 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.432 ' C ' ' CD1' ' A' ' 55' ' ' PHE . 9.2 p90 -75.38 148.81 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 74' ' ' HIS . 49.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.163 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.554 -0.219 . . . . 0.0 112.554 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.909 HD11 ' HD2' ' A' ' 75' ' ' ARG . 18.1 mt -112.86 112.53 24.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -96.4 124.82 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.97 131.1 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -81.98 29.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.49 HG11 ' H ' ' A' ' 88' ' ' ALA . 27.1 t -132.08 -58.2 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 6.3 p -114.1 22.86 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 32.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CE2' HG11 ' A' ' 73' ' ' VAL . 26.2 t80 -83.92 104.09 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 47' ' ' THR . 3.1 p -106.67 129.17 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.1 m -148.79 159.03 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.615 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.0 m80 -46.42 150.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.909 ' HD2' HD11 ' A' ' 64' ' ' LEU . 4.7 mmm180 -56.96 -21.74 32.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -87.7 -45.09 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.4 m -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.601 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.41 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 13.9 pt-20 -46.4 -45.13 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 81' ' ' VAL . 28.9 m-85 -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' PHE . 83.6 t -36.97 124.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -110.03 -36.85 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 22.4 t80 -45.5 140.41 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.463 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 12.0 tt0 -84.82 137.08 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.761 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 9.1 t -65.53 133.3 95.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.485 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.76 -46.23 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.99 -51.77 6.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -55.81 174.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -87.7 76.16 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.468 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 26.4 m-85 -82.57 130.16 35.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 39' ' ' THR . 9.7 t -131.76 108.82 9.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -42.93 122.99 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -154.61 134.22 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -65.6 143.45 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -117.61 123.71 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 45' ' ' GLN . 26.7 pttt -80.88 -40.12 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 37.3 mt-30 -94.23 157.48 37.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.5 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.72 ' CG2' HG11 ' A' ' 72' ' ' VAL . 16.6 m -69.67 145.89 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' C ' ' A' ' 53' ' ' THR . 17.7 t80 -104.54 147.83 27.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 t -89.21 110.74 21.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -79.8 38.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -133.18 -52.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 22.5 p -112.68 23.73 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.48 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 9.8 t 38.13 49.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 35.5 m-20 -130.6 162.72 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -84.22 154.32 23.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.6 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 40' ' ' ALA . 22.1 mt -118.83 112.62 19.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.943 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -96.24 137.96 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.03 134.88 35.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.06 24.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -129.92 -59.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.3 p -112.99 29.38 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' CYS . 16.5 m 33.96 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' CYS . 46.8 t80 -88.35 103.83 16.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.72 HG11 ' CG2' ' A' ' 47' ' ' THR . 8.7 p -104.29 131.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.2 m -152.07 151.52 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 56' ' ' ILE . 26.3 m80 -41.3 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.2 OUTLIER -63.02 -50.27 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 5.7 ptp180 -62.03 -32.28 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.669 ' O ' HG23 ' A' ' 81' ' ' VAL . 21.5 m -68.93 -42.86 76.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -36.75 -66.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 14.4 pt-20 -55.46 -49.12 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 76' ' ' ARG . 17.5 m-85 -51.58 -36.18 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 77' ' ' CYS . 72.3 t -45.23 135.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.5 p -117.92 -43.39 2.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 84' ' ' GLU . 8.4 t80 -37.03 146.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 8.0 pt-20 -96.99 117.36 30.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.2 t -41.02 134.64 1.74 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.76 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.63 -46.92 22.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.97 171.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -78.65 43.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CD2' ' CG ' ' A' ' 78' ' ' HIS . 47.0 m-85 -51.05 121.42 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 39' ' ' THR . 9.5 t -133.96 120.6 20.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.24 124.26 18.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.58 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -144.87 150.47 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.19 131.04 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.58 ' CZ ' ' HD2' ' A' ' 41' ' ' ARG . 3.4 m-85 -117.94 151.5 37.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -114.36 -44.94 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.419 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 7.7 pt20 -94.11 155.11 40.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.5 Cg_endo -69.81 81.56 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.639 ' CG2' HG11 ' A' ' 72' ' ' VAL . 32.4 m -50.32 160.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.524 ' N ' HG22 ' A' ' 47' ' ' THR . 6.3 t80 -104.87 125.76 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.13 104.54 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -77.17 39.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.407 ' HB2' HG11 ' A' ' 73' ' ' VAL . 19.6 t60 -133.94 -48.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 26.8 p -122.23 28.0 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 53' ' ' THR . 57.3 m 37.46 53.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 25.7 m-20 -135.18 160.17 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.48 148.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 74' ' ' HIS . 63.2 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.482 ' CA ' HG21 ' A' ' 56' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -95.99 114.28 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.419 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.15 142.08 28.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.5 t -88.4 136.25 33.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.68 30.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.681 HG11 ' H ' ' A' ' 88' ' ' ALA . 40.0 t -133.17 -65.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 9.7 p -107.35 25.04 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.51 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.424 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 65.8 t80 -83.78 106.84 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.639 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.3 p -113.96 127.66 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' HIS . 27.1 m -145.25 153.75 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.596 ' CD2' HG12 ' A' ' 56' ' ' ILE . 34.7 m80 -34.31 152.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 30.6 ttt180 -53.51 -48.31 69.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 26.9 ptt-85 -69.24 -50.54 46.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 20.4 m -41.47 -39.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.511 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -41.09 -71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.82 -38.53 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 77' ' ' CYS . 24.6 m-85 -69.04 -35.84 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 78' ' ' HIS . 76.2 t -41.67 132.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -114.54 -44.06 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -43.1 122.38 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -73.6 133.85 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.19 133.62 84.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -52.57 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.453 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -66.07 -89.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.681 ' H ' HG11 ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 29.9 t -75.84 111.42 11.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.873 0.368 . . . . 0.0 110.851 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 72.8 p -74.11 124.19 25.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.19 83.17 0.14 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -71.99 -44.74 63.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.898 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.3 t 44.59 41.19 4.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.839 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -135.68 -149.21 5.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.502 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 35.9 m-70 -84.6 176.61 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.905 0.383 . . . . 0.0 110.819 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -82.01 40.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.53 ' CD2' ' ND1' ' A' ' 78' ' ' HIS . 69.7 m-85 -50.46 137.02 19.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -162.52 130.62 3.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.198 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -47.15 127.15 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 52.7 ttm-85 -149.87 122.55 8.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -51.8 139.51 21.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -123.36 88.75 2.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -55.48 -27.87 51.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' N ' ' HG2' ' A' ' 44' ' ' LYS . 43.3 mt-30 -107.23 160.14 27.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.578 0.704 . . . . 0.0 110.907 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.427 ' HA ' ' CB ' ' A' ' 57' ' ' TRP . 54.2 Cg_endo -69.73 92.62 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.643 2.229 . . . . 0.0 112.375 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.466 ' CG2' HG11 ' A' ' 72' ' ' VAL . 21.5 m -64.73 150.21 47.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.463 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 4.9 t80 -123.74 117.14 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 40.5 t -69.01 121.46 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.8 t -95.34 43.36 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -134.51 -60.52 0.79 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.9 p -92.67 -13.69 29.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 53' ' ' THR . 11.0 m 71.61 47.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -132.41 171.47 13.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -87.34 158.95 18.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.584 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.0 mt -119.92 -49.18 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.154 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' CB ' ' HA ' ' A' ' 46' ' ' PRO . 52.9 t-105 -66.84 92.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 149.29 -52.51 0.53 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.781 ' O ' HD12 ' A' ' 59' ' ' ILE . 2.7 pp -83.22 33.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.845 0.355 . . . . 0.0 111.11 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.58 -168.59 12.99 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -119.0 41.06 3.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -95.8 86.4 4.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.92 111.72 0.65 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.2 mt -114.81 112.95 23.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.759 0.314 . . . . 0.0 110.924 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.455 ' OE1' ' N ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.13 135.11 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.4 t -79.62 133.3 36.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -85.99 27.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.454 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 25.5 t -129.61 -59.91 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 18.6 p -112.29 23.11 14.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.4 t 40.69 38.34 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.464 ' CE2' HG11 ' A' ' 73' ' ' VAL . 32.2 t80 -96.22 98.21 10.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -96.49 128.69 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.464 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.5 m -140.62 143.95 28.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.584 ' CD2' HG12 ' A' ' 56' ' ' ILE . 67.0 m80 -40.26 161.13 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.5 mmt85 -54.74 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 17.6 ptt180 -71.2 -38.35 72.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.745 ' O ' HG23 ' A' ' 81' ' ' VAL . 57.7 m -59.98 -33.2 71.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.53 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -45.81 -64.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 12.7 pt-20 -57.86 -43.44 85.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.476 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 15.3 m-85 -55.63 -39.24 70.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 77' ' ' CYS . 77.3 t -39.18 134.33 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -119.64 -28.84 5.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 24.2 t80 -53.23 149.56 7.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -98.31 115.67 28.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.9 t -46.07 133.88 7.05 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.74 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 54.1 Cg_endo -69.75 -29.07 24.48 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.338 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.454 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -102.6 -48.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.58 109.25 5.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 101.58 -95.38 1.34 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.9 ttpp -83.37 156.42 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.836 0.351 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.42 -163.11 36.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.44 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 113.4 3.37 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.651 2.234 . . . . 0.0 112.307 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -60.66 172.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 82.8 p -45.37 -47.27 13.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.124 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -58.28 163.48 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -132.44 122.25 17.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -46.56 1.19 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.251 . . . . 0.0 112.349 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.68 153.32 1.23 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 100' ' ' LYS . 95.3 m-20 -139.89 -178.71 5.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' ASN . 20.5 tttm -37.87 127.47 1.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 18.2 t-80 -79.92 157.99 26.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.69 159.2 29.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -111.24 -56.98 2.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -72.9 176.8 5.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 73.7 m -84.72 113.1 21.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -147.77 148.92 31.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -91.26 54.97 3.21 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.5 m -124.48 136.11 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 110.826 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 t -80.82 170.89 15.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.88 -172.58 22.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' HB2' ' CZ ' ' A' ' 38' ' ' PHE . 9.3 m-70 -75.66 171.7 13.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.628 ' HB3' HG23 ' A' ' 68' ' ' VAL . 0.3 OUTLIER -78.52 81.46 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CZ ' ' HB2' ' A' ' 36' ' ' HIS . 62.9 m-85 -93.58 154.34 17.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -147.59 111.68 5.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.158 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.41 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . . . -47.97 121.17 3.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.462 ' CA ' ' HE3' ' A' ' 61' ' ' LYS . 7.0 ptm180 -153.34 146.41 24.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.831 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -77.48 131.48 37.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -104.81 122.94 46.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.02 -38.32 13.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.902 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -95.13 152.73 39.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.62 0.724 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 94.13 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.72 2.28 . . . . 0.0 112.315 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.58 HG22 ' N ' ' A' ' 48' ' ' PHE . 18.5 m -77.23 166.64 22.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' N ' HG22 ' A' ' 47' ' ' THR . 33.3 t80 -117.65 132.21 56.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 42.1 t -80.04 116.78 20.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.4 m -86.01 39.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.429 ' CD2' ' C ' ' A' ' 51' ' ' HIS . 4.0 t60 -134.26 -52.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.1 p -111.5 14.58 21.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 7.4 m 44.15 54.14 6.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -137.22 165.05 27.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -76.82 155.27 33.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.563 HG12 ' CD2' ' A' ' 74' ' ' HIS . 40.8 mt -107.07 -39.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 45.9 t-105 -40.45 131.66 2.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 160.36 -102.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.448 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 29.8 mt -47.09 -57.2 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.129 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 141.62 -70.08 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' HE3' ' CA ' ' A' ' 41' ' ' ARG . 19.1 tptm -101.49 51.38 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -119.05 42.88 2.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -149.51 123.17 1.56 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.41 ' CD2' ' HA ' ' A' ' 40' ' ' ALA . 18.7 mt -123.38 120.02 31.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.762 0.315 . . . . 0.0 110.929 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.38 145.36 26.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.6 t -88.13 129.23 35.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -86.98 26.25 1.18 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.628 HG23 ' HB3' ' A' ' 37' ' ' LYS . 37.9 t -126.68 -48.71 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 19.7 p -124.9 21.86 8.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.9 m 47.94 25.05 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.498 ' CE2' HG11 ' A' ' 73' ' ' VAL . 70.2 t80 -86.24 107.54 17.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' C ' HG13 ' A' ' 73' ' ' VAL . 4.1 p -107.94 144.02 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.498 HG11 ' CE2' ' A' ' 71' ' ' PHE . 17.5 m -157.11 150.6 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.8 m80 -41.88 161.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.813 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -60.34 -47.64 85.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -68.17 -30.8 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 78' ' ' HIS . 35.1 m -69.28 -39.23 78.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.485 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -33.55 -72.77 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 11.0 pt-20 -52.54 -45.87 66.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -53.01 -33.42 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 72.6 t -41.31 136.47 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 50.7 p -115.39 -47.07 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -45.8 135.38 7.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -82.77 139.9 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.583 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.5 t -66.66 133.76 94.2 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -50.47 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.267 . . . . 0.0 112.361 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -68.55 -58.97 6.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -35.85 -54.23 0.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.846 0.355 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -64.36 -146.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.1 ttpp -46.91 -46.03 20.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.16 76.91 0.24 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.478 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 170.73 15.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.733 2.289 . . . . 0.0 112.316 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -128.18 36.4 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.544 ' O ' HG22 ' A' ' 94' ' ' THR . 20.0 m -123.95 42.28 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -149.56 125.33 10.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.841 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -115.32 65.14 2.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.582 0.706 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.43 ' C ' ' HG3' ' A' ' 98' ' ' ARG . 54.0 Cg_endo -69.77 -51.76 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.365 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.43 ' HG3' ' C ' ' A' ' 97' ' ' PRO . 0.0 OUTLIER -136.44 176.92 8.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -100.25 106.86 18.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -47.15 172.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.923 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.418 ' CD2' ' H ' ' A' ' 102' ' ' LYS . 11.5 t60 -140.62 178.74 7.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.863 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.418 ' H ' ' CD2' ' A' ' 101' ' ' HIS . 5.2 tttp -109.6 141.5 42.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -104.84 124.17 48.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -60.4 143.23 53.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' ' 105' ' ' LEU . 7.2 tt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.8 p -164.25 129.36 2.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.889 0.376 . . . . 0.0 110.861 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 67.8 m -100.16 -43.52 6.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 66.6 125.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.495 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 m -151.46 121.81 7.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.876 0.369 . . . . 0.0 110.892 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.0 m -137.21 115.67 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.836 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 163.92 169.08 26.94 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.42 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.8 m-70 -54.02 173.98 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.882 0.372 . . . . 0.0 110.822 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -89.74 73.15 7.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.536 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 68.2 m-85 -81.15 145.51 31.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 t -158.65 148.68 19.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.145 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.08 126.19 23.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.059 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.8 mtt-85 -148.15 119.44 7.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -56.12 148.66 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.914 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -144.66 106.14 4.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.3 tttt -79.46 -24.41 42.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.93 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 -99.44 157.39 34.09 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.563 0.697 . . . . 0.0 110.952 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' HA ' ' CB ' ' A' ' 57' ' ' TRP . 53.9 Cg_endo -69.81 81.91 0.8 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.649 2.232 . . . . 0.0 112.344 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.49 ' HB ' HD12 ' A' ' 56' ' ' ILE . 4.8 m -46.19 159.89 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.409 ' N ' HG22 ' A' ' 47' ' ' THR . 51.1 t80 -121.74 108.63 13.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.0 t -61.4 125.92 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.586 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 73.3 m -97.48 28.98 3.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.452 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 12.5 t60 -124.69 -46.33 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.796 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.5 p -112.53 -1.32 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 53' ' ' THR . 51.8 m 61.5 54.88 2.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -144.23 168.41 20.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -82.23 152.53 26.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.536 HG12 ' CD2' ' A' ' 74' ' ' HIS . 60.7 mt -103.93 -56.91 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.418 ' CB ' ' HA ' ' A' ' 46' ' ' PRO . 26.9 t90 -47.83 -40.38 21.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 57' ' ' TRP . . . -37.99 -52.48 2.08 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.527 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.74 -48.99 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.144 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.04 155.7 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.466 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -12.42 31.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.692 0.282 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -51.9 92.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -148.08 158.86 27.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.501 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.38 126.4 26.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.737 0.303 . . . . 0.0 110.923 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -110.59 148.61 31.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.9 t -90.71 121.32 32.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -72.83 2.55 6.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.8 t -100.72 -62.36 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 22.8 p -108.8 25.22 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 m 40.95 27.97 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.586 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 61.6 t80 -87.27 118.77 26.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.518 ' O ' HG13 ' A' ' 73' ' ' VAL . 2.2 p -118.55 149.29 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 72' ' ' VAL . 35.9 m -161.24 157.98 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.536 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.1 m80 -42.57 148.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 -35.16 23.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 18.3 ptt180 -83.05 -45.68 13.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.494 ' O ' HG23 ' A' ' 81' ' ' VAL . 43.9 m -50.36 -20.88 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.536 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -52.1 -67.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.42 -29.22 48.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 12.0 m-85 -73.79 -28.5 61.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 77' ' ' CYS . 49.4 t -46.02 118.73 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.0 t -111.22 0.74 16.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -83.55 133.11 34.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -80.65 129.11 34.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 8.6 t -63.9 133.8 95.7 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.606 0.717 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -32.98 17.5 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.703 2.268 . . . . 0.0 112.345 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -93.64 -48.37 2.76 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.544 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.56 138.08 39.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.818 0.342 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.64 134.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 15.5 pttp -121.45 174.54 6.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 110.912 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -122.65 -126.55 3.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -43.45 2.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -64.52 145.43 56.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 33.5 m -117.39 126.25 52.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.171 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.68 155.99 19.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.879 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -109.67 116.66 53.94 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.633 0.73 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.9 Cg_endo -69.72 6.67 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.649 2.233 . . . . 0.0 112.369 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.516 ' C ' ' O ' ' A' ' 97' ' ' PRO . 13.9 ptt180 -28.82 139.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.839 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -116.7 150.67 37.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.871 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.16 156.84 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -52.46 142.75 16.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 23.6 ttpt -77.96 115.31 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -73.48 173.65 9.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -104.87 125.44 50.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.523 ' C ' HD12 ' A' ' 105' ' ' LEU . 4.2 pp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 54.4 m -112.6 144.48 42.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.0 m -108.67 104.62 13.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -129.34 89.08 0.31 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 m -124.69 135.36 52.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.846 0.355 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 78.8 p -115.1 116.57 28.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.822 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 133.57 -168.45 23.15 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.8 m-70 -89.98 174.15 7.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.886 0.374 . . . . 0.0 110.813 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -80.93 42.77 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.638 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 59.8 m-85 -50.04 153.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.829 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 t -172.71 138.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.0 120.78 11.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -134.12 119.71 19.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.84 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -52.6 107.83 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -99.59 127.35 45.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -91.83 -41.36 10.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.407 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 6.5 pt20 -88.11 155.14 52.34 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.571 0.7 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.9 Cg_endo -69.77 79.97 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.531 HG22 ' N ' ' A' ' 48' ' ' PHE . 16.1 m -54.5 163.42 0.9 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' CE1' ' HA ' ' A' ' 53' ' ' THR . 14.0 t80 -120.98 130.12 53.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 32.9 t -78.02 119.06 20.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -87.25 33.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.846 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -129.16 -46.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.3 p -123.02 26.94 7.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.562 ' HA ' ' CE1' ' A' ' 48' ' ' PHE . 9.7 t 34.52 55.02 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.424 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 6.9 m-20 -136.72 158.04 45.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -80.63 143.64 32.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.599 HG12 ' CD2' ' A' ' 74' ' ' HIS . 20.2 mt -97.24 -48.48 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -63.49 121.45 13.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 164.98 -88.07 0.1 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.1 pt -59.72 -175.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 111.101 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -78.67 43.37 2.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -142.83 149.99 39.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.301 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -111.95 179.0 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.434 ' HA3' HG21 ' A' ' 56' ' ' ILE . . . -117.34 156.74 15.46 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.0 mt -105.31 127.09 52.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -105.95 142.96 34.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.6 t -86.27 133.78 33.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -87.87 29.84 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.99 -64.81 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.4 p -107.44 22.8 15.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.38 27.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.499 ' CE2' HG11 ' A' ' 73' ' ' VAL . 64.3 t80 -82.48 102.25 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.506 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 5.6 p -101.41 146.76 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.506 ' CG1' ' O ' ' A' ' 72' ' ' VAL . 21.3 m -160.96 149.95 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.089 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.599 ' CD2' HG12 ' A' ' 56' ' ' ILE . 44.0 m80 -35.74 153.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -53.66 -45.2 70.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 22.0 ptt-85 -74.48 -44.24 52.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.621 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.7 m -49.24 -25.74 2.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.638 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.2 t-160 -48.21 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 10.2 pt-20 -49.24 -38.32 26.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.422 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 50.9 m-85 -62.62 -35.86 80.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 77' ' ' CYS . 76.7 t -40.38 135.63 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 71.5 p -116.22 -45.17 2.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -40.98 148.33 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -99.41 125.5 45.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.645 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.1 t -52.6 133.74 45.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.65 0.738 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.91 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -69.73 -54.6 11.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.645 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -43.33 -59.53 2.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 111.131 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.81 74.93 0.75 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.486 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 tptt -101.33 -44.6 5.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -44.22 146.09 1.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.99 9.4 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.369 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -63.86 92.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.7 p -47.21 148.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -98.22 39.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' C ' ' H ' ' A' ' 98' ' ' ARG . 14.7 t70 -120.23 133.34 23.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.615 0.722 . . . . 0.0 110.861 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 13.44 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.251 . . . . 0.0 112.302 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 96' ' ' ASP . 8.8 ptp180 -59.34 -179.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -72.33 130.6 41.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.4 tppt? -97.51 154.32 17.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.962 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -46.61 -53.41 11.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 11.0 ttpp -50.69 125.22 12.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.6 t80 -133.15 155.21 49.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -111.4 132.0 54.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 105' ' ' LEU . 2.2 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.1 m -123.24 157.17 33.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.923 0.392 . . . . 0.0 110.817 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 p -155.28 129.23 8.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.9 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.7 132.44 4.53 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.442 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.1 m -93.75 -49.22 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.827 0.346 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.8 t -115.9 139.88 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.24 165.9 10.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.551 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 13.3 m-70 -65.01 -178.89 0.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -80.58 42.15 0.59 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.696 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 71.4 m-85 -51.07 147.93 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.4 t -159.47 141.51 13.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.96 126.03 25.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.0 mtp85 -140.39 131.63 26.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -72.66 114.75 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -109.2 124.91 51.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.64 -44.94 10.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 8.6 mm100 -84.18 161.58 54.41 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.587 0.708 . . . . 0.0 110.924 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 54.0 Cg_endo -69.76 84.83 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.657 2.238 . . . . 0.0 112.374 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.1 m -55.84 147.36 19.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 40.5 t80 -108.6 127.25 53.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -78.63 113.16 16.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.564 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 3.6 t -79.21 39.06 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -134.45 -47.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -119.68 23.88 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.555 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 64.7 p 38.92 43.89 0.8 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -129.35 155.28 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -77.32 150.61 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.604 HG12 ' CD2' ' A' ' 74' ' ' HIS . 21.1 mt -98.67 -50.9 10.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.407 ' CB ' ' HA ' ' A' ' 46' ' ' PRO . 2.3 t90 -58.66 -44.15 90.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 37.79 -110.16 0.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.449 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 60' ' ' GLY . 19.3 tt -88.17 -44.8 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.076 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 59' ' ' ILE . . . -176.47 78.42 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.0 mmmm -149.19 157.3 43.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.722 0.296 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -111.81 164.74 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.56 162.38 23.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.501 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.37 118.33 36.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.783 0.325 . . . . 0.0 110.911 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -99.86 144.26 29.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.4 t -86.78 132.88 33.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -84.27 30.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.955 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.557 HG11 ' H ' ' A' ' 88' ' ' ALA . 15.9 t -134.81 -60.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.411 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 8.0 p -110.84 24.68 12.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.9 m 40.1 34.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 17.8 t80 -89.69 104.56 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.25 129.3 58.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.541 HG21 ' CG2' ' A' ' 81' ' ' VAL . 35.2 m -144.18 146.12 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.084 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.604 ' CD2' HG12 ' A' ' 56' ' ' ILE . 42.0 m80 -38.38 158.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -52.35 -47.13 66.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -68.43 -44.48 74.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.679 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.5 m -57.3 -30.9 65.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.696 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 1.9 t-80 -44.92 -71.42 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -52.68 -42.72 65.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.64 -39.79 71.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.679 HG23 ' O ' ' A' ' 77' ' ' CYS . 89.7 t -39.29 113.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 78.5 p -97.33 -37.31 10.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 28.8 t80 -45.37 136.85 5.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -88.28 114.33 24.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.603 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 16.4 t -41.81 134.22 2.27 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.855 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.478 ' HD3' ' CE2' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.75 -26.31 27.73 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.329 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -100.75 -60.14 0.81 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.512 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.603 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -43.98 -49.85 8.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.811 0.339 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 172.22 91.01 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -65.52 -41.22 93.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . -156.12 174.84 33.98 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 13.82 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 0.0 112.372 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 91' ' ' GLY . 26.9 tt0 -62.25 105.15 0.56 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.3 p -96.9 173.32 7.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 96' ' ' ASP . 1.9 p-10 -51.48 175.73 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 98' ' ' ARG . 2.2 m-20 -34.44 140.36 0.28 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.653 0.739 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.527 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.2 Cg_endo -69.76 19.61 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.527 ' C ' ' O ' ' A' ' 97' ' ' PRO . 67.5 mtt85 -27.94 101.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -129.99 176.52 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 101' ' ' HIS . 9.1 ptmm? -37.28 146.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.437 ' C ' ' O ' ' A' ' 100' ' ' LYS . 1.0 OUTLIER -35.58 150.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 101' ' ' HIS . 10.2 mttm -35.53 152.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -63.34 178.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.15 178.41 4.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.4 m -103.92 83.11 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.2 t 50.14 41.8 24.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 170.69 166.78 30.1 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.481 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.9 p -83.09 113.86 20.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 80.0 p -120.74 97.11 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 68.33 177.75 13.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 19.6 m-70 -61.54 179.68 0.22 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -97.31 52.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.74 ' CB ' HD12 ' A' ' 64' ' ' LEU . 63.2 m-85 -58.85 166.15 2.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.448 HG23 ' O ' ' A' ' 39' ' ' THR . 2.7 t -158.59 105.3 1.83 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -44.75 111.66 0.34 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.083 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -137.4 135.68 37.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -49.08 150.21 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -126.92 91.71 3.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 52.8 mttm -60.85 -27.58 68.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.1 mm100 -121.17 157.7 54.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.61 0.719 . . . . 0.0 110.893 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 55' ' ' PHE . 53.2 Cg_endo -69.79 131.54 21.41 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.675 2.25 . . . . 0.0 112.31 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.644 HG22 ' H ' ' A' ' 48' ' ' PHE . 1.1 m -112.11 174.0 6.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.644 ' H ' HG22 ' A' ' 47' ' ' THR . 37.7 t80 -123.02 138.5 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.469 ' CA ' HD11 ' A' ' 56' ' ' ILE . 12.9 t -83.07 112.94 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.603 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 55.3 m -77.38 9.26 3.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 56.6 t60 -106.31 -54.12 2.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 53' ' ' THR . 31.2 p -107.95 22.84 15.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.457 ' C ' ' O ' ' A' ' 52' ' ' CYS . 72.0 p 33.29 54.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.181 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.93 154.22 48.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.599 ' CZ ' ' HB2' ' A' ' 46' ' ' PRO . 2.4 t80 -64.89 154.11 38.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.469 HD11 ' CA ' ' A' ' 49' ' ' CYS . 72.5 mt -127.97 82.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.439 ' CD2' ' N ' ' A' ' 58' ' ' GLY . 13.3 t-105 -150.0 155.59 40.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.439 ' N ' ' CD2' ' A' ' 57' ' ' TRP . . . 145.32 -143.37 11.73 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.508 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.1 mm -107.06 138.04 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.103 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.41 -171.33 27.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.522 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -125.65 82.08 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -108.43 48.93 0.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -134.34 125.83 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.74 HD12 ' CB ' ' A' ' 38' ' ' PHE . 3.9 mm? -111.33 97.0 6.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.711 0.291 . . . . 0.0 110.918 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -93.02 111.15 22.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.4 t -62.81 132.26 51.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.67 29.46 0.7 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.865 HG11 ' H ' ' A' ' 88' ' ' ALA . 15.9 t -128.6 -69.46 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.471 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 5.1 p -97.8 5.38 49.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.7 m 64.12 30.64 13.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 9.5 t80 -81.94 109.36 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.549 HG11 ' CG2' ' A' ' 47' ' ' THR . 9.2 p -107.98 119.4 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.111 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.401 HG11 ' CE2' ' A' ' 71' ' ' PHE . 20.0 m -143.86 146.32 21.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.086 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.435 ' NE2' HG12 ' A' ' 56' ' ' ILE . 37.8 m80 -39.88 158.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.853 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.58 ' HG2' HD21 ' A' ' 64' ' ' LEU . 2.2 tmm_? -66.48 -31.11 71.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -78.62 -18.43 54.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.449 ' O ' ' C ' ' A' ' 78' ' ' HIS . 66.2 m -92.19 -30.33 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -34.24 -63.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.2 pt-20 -56.48 -53.34 58.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.853 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 81' ' ' VAL . 25.9 m-85 -42.32 -49.9 5.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.464 ' C ' ' O ' ' A' ' 80' ' ' PHE . 61.3 t -32.75 143.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 62.8 p -129.76 -34.28 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -45.99 127.33 8.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -72.82 133.09 44.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.5 t -65.05 133.71 95.81 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.648 0.737 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.471 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.77 -39.69 6.19 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.32 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.414 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -93.23 -53.79 1.82 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.444 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.865 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -66.92 151.9 46.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.73 -166.32 35.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 90' ' ' LYS . 12.5 tmtt? -90.04 101.84 14.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -96.97 -174.36 34.75 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 1.82 4.11 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.701 2.267 . . . . 0.0 112.334 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -76.24 107.5 8.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 94' ' ' THR . 13.2 t -69.04 123.49 21.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 96' ' ' ASP . 0.7 OUTLIER -99.49 176.42 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 95' ' ' ASP . 10.5 t0 -34.9 103.59 0.24 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.618 0.723 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 96' ' ' ASP . 53.3 Cg_endo -69.84 1.46 4.47 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.695 2.264 . . . . 0.0 112.336 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 31.2 mmm-85 -91.34 85.92 5.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -147.19 175.37 10.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.84 162.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -42.56 100.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.889 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.09 130.03 37.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 50.2 t80 -72.09 106.16 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -108.81 165.61 11.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 17.9 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.899 -179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -80.41 117.33 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.332 . . . . 0.0 110.86 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.2 t -155.48 119.56 4.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.822 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -101.62 -103.74 2.7 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.9 p -172.35 118.9 0.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.0 m -79.69 92.43 5.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -175.45 179.28 46.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.47 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -76.53 177.02 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -78.65 44.77 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.521 ' HB3' HD13 ' A' ' 64' ' ' LEU . 53.4 m-85 -54.89 140.69 36.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.7 t -156.58 141.02 16.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.73 122.69 13.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.049 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -136.02 131.05 34.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -62.46 117.92 6.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.53 111.01 19.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -76.11 -34.16 59.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -103.99 161.73 22.05 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.56 0.695 . . . . 0.0 110.938 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 90.22 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.71 ' HB ' HD12 ' A' ' 56' ' ' ILE . 3.5 m -59.13 147.18 36.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.126 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -95.38 136.38 35.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.0 t -90.48 118.16 29.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.576 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 37.2 m -84.17 25.5 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.492 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 28.2 t60 -122.05 -49.72 2.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 53' ' ' THR . 25.7 p -116.5 25.97 10.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 52' ' ' CYS . 9.9 t 33.72 54.93 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -135.86 160.79 37.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -77.72 155.82 31.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.71 HD12 ' HB ' ' A' ' 47' ' ' THR . 28.9 mt -113.27 79.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.532 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 8.5 t-105 -137.13 161.7 35.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.532 ' N ' ' CG ' ' A' ' 57' ' ' TRP . . . 114.94 129.01 4.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.481 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.5 pt -59.02 145.53 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 111.146 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.72 -47.15 2.75 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -100.96 135.16 42.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -137.07 -174.82 3.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -125.97 159.61 20.39 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 38' ' ' PHE . 10.8 mt -120.83 120.87 36.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.717 0.294 . . . . 0.0 110.934 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -90.15 137.54 32.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 41.3 t -85.24 130.92 34.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -85.54 27.47 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.445 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 44.8 t -129.63 -58.19 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.453 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 6.6 p -115.47 25.67 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.8 m 44.57 25.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.576 ' CE1' ' HB2' ' A' ' 50' ' ' SER . 25.5 t80 -81.74 100.89 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.453 HG21 HG21 ' A' ' 47' ' ' THR . 6.2 p -106.84 124.46 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 17.3 m -142.34 153.19 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.6 ' CD2' HG12 ' A' ' 56' ' ' ILE . 39.0 m80 -40.32 158.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.0 ttt85 -60.78 -53.18 60.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.477 ' O ' ' CG ' ' A' ' 79' ' ' GLU . 6.6 ptm180 -58.25 -33.61 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.508 ' O ' HG23 ' A' ' 81' ' ' VAL . 56.7 m -69.12 -36.65 77.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -36.16 -34.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 76' ' ' ARG . 3.8 pt-20 -88.15 -40.06 14.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.492 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 28.9 m-85 -61.57 -32.79 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 77' ' ' CYS . 64.5 t -42.91 120.34 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.089 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.6 t -100.03 -28.5 13.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.126 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 84' ' ' GLU . 11.7 t80 -64.7 135.39 55.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' O ' ' CE1' ' A' ' 83' ' ' PHE . 7.2 mm-40 -87.92 138.71 31.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.7 t -59.15 131.77 87.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.739 . . . . 0.0 110.868 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.445 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -67.01 -54.09 23.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.53 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.12 123.84 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.818 0.342 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 139.04 118.27 1.58 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.8 mmmt -45.09 133.73 6.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.901 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.96 171.48 22.42 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -50.67 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.326 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -130.61 94.51 3.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.5 m -80.41 133.82 35.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.138 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' ASP . 2.2 p30 -87.17 163.9 16.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ASP . 4.9 m-20 -33.73 96.91 0.11 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.602 0.715 . . . . 0.0 110.859 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 96' ' ' ASP . 53.5 Cg_endo -69.78 -36.46 10.7 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.716 2.277 . . . . 0.0 112.357 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.3 ptp85 -144.61 161.99 37.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -66.59 116.14 7.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.2 ptmm? -47.77 127.08 11.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -127.43 174.74 8.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.829 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -141.63 150.77 42.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -122.47 169.45 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -148.26 142.8 26.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 105' ' ' LEU . 4.9 tt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.2 t -108.44 96.43 6.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.905 0.383 . . . . 0.0 110.876 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.2 p -81.01 106.41 12.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 -124.6 6.85 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.5 t -133.44 98.8 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.829 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.1 m -61.71 87.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -126.54 161.21 20.89 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.439 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.507 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 30.6 m-70 -54.05 176.32 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.854 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.3 mttt -81.26 38.69 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.507 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 57.6 m-85 -50.23 129.95 22.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 t -142.24 117.66 10.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.33 125.75 24.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -146.02 162.51 37.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -75.04 122.98 24.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -105.76 97.82 7.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -58.0 -44.1 87.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -102.43 154.16 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.638 0.732 . . . . 0.0 110.896 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 110.29 2.52 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.341 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.57 HG21 HG21 ' A' ' 72' ' ' VAL . 52.2 m -91.44 154.77 18.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.101 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.461 ' CE1' ' C ' ' A' ' 54' ' ' ASP . 12.3 t80 -99.8 158.62 15.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.6 t -98.27 112.04 24.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 1.2 t -82.09 37.46 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -134.14 -52.19 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.6 p -115.36 28.59 8.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 27.9 p 34.3 54.9 0.63 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.097 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' C ' ' CE1' ' A' ' 48' ' ' PHE . 44.8 m-20 -136.45 165.97 24.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.882 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -87.17 141.51 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 68.3 mt -88.49 -44.96 15.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.4 t-105 -52.91 97.56 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -117.28 -159.32 11.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.447 HG13 ' N ' ' A' ' 60' ' ' GLY . 7.0 pt -53.78 -25.57 12.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.375 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 59' ' ' ILE . . . 170.89 59.4 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -132.63 155.74 48.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.711 0.291 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.55 159.99 32.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -106.67 -178.6 23.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD13 ' HB3' ' A' ' 38' ' ' PHE . 17.7 mt -127.45 107.22 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.544 ' NE2' ' C ' ' A' ' 70' ' ' SER . 1.6 tp60 -90.21 117.71 29.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 25.4 t -67.19 135.67 53.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -85.69 31.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 31.9 t -134.16 -61.46 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.422 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 10.2 p -111.09 22.47 15.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.87 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.544 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 3.0 t 41.29 41.9 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 19.2 t80 -91.33 94.54 9.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.57 HG21 HG21 ' A' ' 47' ' ' THR . 9.7 p -97.02 118.55 43.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 74' ' ' HIS . 35.0 m -140.5 154.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 73' ' ' VAL . 33.6 m80 -35.69 144.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.63 -39.24 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.17 -37.31 58.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.463 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.2 m -59.72 -21.5 60.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.499 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.75 -71.03 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 8.4 pt-20 -42.91 -38.87 2.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 76.7 m-85 -65.6 -43.23 90.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 77' ' ' CYS . 93.9 t -35.71 103.93 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.9 t -91.89 -30.52 16.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.175 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 86' ' ' PRO . 34.0 t80 -49.93 142.97 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -95.08 119.52 33.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.463 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 12.1 t -45.39 133.99 5.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.65 0.738 . . . . 0.0 110.85 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.422 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.6 Cg_endo -69.79 -41.63 4.06 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.35 -64.08 2.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.463 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -36.6 138.56 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.816 0.341 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 52.38 -126.65 31.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -91.38 172.56 8.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.8 118.03 0.43 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 7.81 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.697 2.265 . . . . 0.0 112.341 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' THR . 7.2 tp60 -73.91 143.0 45.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 93' ' ' GLN . 73.6 p -37.4 144.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 96' ' ' ASP . 1.8 m-20 -81.71 43.82 0.78 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 95' ' ' ASP . 3.5 p-10 -37.88 136.81 0.75 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.58 0.705 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 8.71 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.707 2.271 . . . . 0.0 112.341 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -57.41 121.01 9.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -142.37 137.35 30.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -149.31 140.32 22.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -41.19 145.59 0.23 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.828 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -113.53 94.56 4.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -61.47 90.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 105' ' ' LEU . 25.1 ptt180 -83.68 -41.65 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.477 ' N ' ' HG3' ' A' ' 104' ' ' ARG . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.0 m -98.51 120.16 38.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.903 0.382 . . . . 0.0 110.838 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.5 t -69.53 -53.3 19.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.26 58.42 0.29 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.442 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.8 t -118.33 96.16 5.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.842 0.353 . . . . 0.0 110.868 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 t -90.9 100.91 13.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.833 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -78.29 -177.5 48.3 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.465 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 85' ' ' CYS . 14.1 m-70 -57.37 174.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.828 0.346 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -78.02 44.66 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.642 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 53.0 m-85 -51.11 134.47 26.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -138.55 123.59 19.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -56.66 122.42 12.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -155.09 137.88 15.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -68.93 150.34 47.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -126.61 101.51 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -48.5 81.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.5 mp0 -93.55 162.61 27.12 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.6 0.714 . . . . 0.0 110.927 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 112.92 3.21 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.699 2.266 . . . . 0.0 112.342 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -89.64 150.9 22.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 23.3 t80 -102.46 126.72 49.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -77.79 113.46 15.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 t -80.76 37.83 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 15.4 t60 -133.24 -48.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.0 p -119.83 24.66 10.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 47.1 p 37.93 47.25 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.146 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -131.18 163.45 27.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 p90 -78.54 149.99 32.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.61 HG12 ' CD2' ' A' ' 74' ' ' HIS . 68.1 mt -100.16 -44.93 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.155 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -55.65 -51.15 68.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 49.55 -100.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 HG23 ' N ' ' A' ' 60' ' ' GLY . 7.4 tt -118.8 -42.46 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.886 0.374 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.454 ' N ' HG23 ' A' ' 59' ' ' ILE . . . -168.14 63.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.515 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.3 tttp -137.47 162.65 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.757 0.313 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -129.33 165.15 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -128.12 -161.75 10.83 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 40' ' ' ALA . 11.8 mt -138.73 117.74 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.454 ' OE1' ' C ' ' A' ' 70' ' ' SER . 4.6 tp-100 -94.74 143.41 26.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.408 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.5 t -89.22 133.63 34.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -84.95 32.77 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.467 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.6 t -135.0 -64.64 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 22.7 p -110.67 25.36 11.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.454 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 76.6 p 41.26 37.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.453 ' C ' ' OE1' ' A' ' 65' ' ' GLN . 66.4 t80 -91.35 101.58 14.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 p -105.09 137.13 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.473 HG21 ' CG2' ' A' ' 81' ' ' VAL . 35.1 m -153.05 147.85 14.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.12 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.61 ' CD2' HG12 ' A' ' 56' ' ' ILE . 36.2 m80 -35.44 153.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -57.17 -38.14 73.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.416 ' HD3' ' C ' ' A' ' 76' ' ' ARG . 0.1 OUTLIER -75.66 -39.79 57.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 76' ' ' ARG . 35.4 m -60.55 -33.54 72.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.642 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.2 OUTLIER -38.45 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 16.8 pt-20 -44.77 -45.59 10.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.444 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 35.7 m-85 -56.74 -39.78 74.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.473 ' CG2' HG21 ' A' ' 73' ' ' VAL . 89.2 t -35.69 115.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.2 p -96.95 -51.02 4.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.486 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 33.1 t80 -43.48 145.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.486 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 6.0 mm-40 -95.18 152.36 18.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.923 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 36' ' ' HIS . 11.7 t -76.88 133.86 69.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 110.836 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -52.24 0.34 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.659 2.24 . . . . 0.0 112.359 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -57.86 -60.44 8.98 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.47 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.68 -48.26 63.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -73.58 146.11 36.69 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.543 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -107.75 111.02 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . 159.89 -108.46 0.36 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 93' ' ' GLN . 53.7 Cg_endo -69.73 19.15 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.677 2.251 . . . . 0.0 112.336 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.47 ' H ' ' C ' ' A' ' 91' ' ' GLY . 4.2 tm0? -33.49 -58.85 0.4 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -141.91 148.39 38.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -71.43 154.41 41.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.425 ' C ' ' H ' ' A' ' 98' ' ' ARG . 48.7 m-20 -39.15 137.91 0.91 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.877 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 11.78 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.425 ' H ' ' C ' ' A' ' 96' ' ' ASP . 28.8 ptt180 -46.69 126.14 8.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.5 p-10 -145.2 176.39 9.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.8 ptmm? -107.75 139.13 42.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -74.02 165.69 24.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -113.44 165.74 12.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -116.64 176.29 5.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -75.13 154.27 37.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.796 ' C ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 31' ' ' SER . 24.7 m -100.32 125.5 46.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.384 . . . . 0.0 110.827 -179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 30' ' ' SER . 89.1 p 36.5 44.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -100.08 -49.67 1.44 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 t -79.79 152.37 29.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.3 m -86.36 135.31 33.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.86 -168.89 19.69 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -79.89 169.84 17.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.869 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -78.93 44.87 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.451 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 42.0 m-85 -50.28 123.72 9.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 t -138.49 124.43 20.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.41 135.53 2.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.099 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -152.0 147.77 26.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 38.5 p90 -82.0 128.36 34.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.406 ' HB2' ' CE ' ' A' ' 61' ' ' LYS . 26.4 m-85 -118.05 107.5 14.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -73.02 -29.39 62.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -107.91 159.09 31.75 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.568 0.699 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 84.2 0.65 Allowed 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.394 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.617 HG22 ' N ' ' A' ' 48' ' ' PHE . 25.6 m -54.96 167.25 0.41 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.617 ' N ' HG22 ' A' ' 47' ' ' THR . 37.3 t80 -117.25 142.52 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 43.2 t -86.68 116.75 24.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 m -82.82 19.1 1.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.457 ' HB2' HG11 ' A' ' 73' ' ' VAL . 56.8 t60 -115.72 -52.86 2.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.9 p -116.86 32.36 6.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.458 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.0 p 31.76 54.86 0.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.535 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 14.5 m-20 -123.35 -173.14 2.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -121.58 134.24 55.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.605 HG12 ' CD2' ' A' ' 74' ' ' HIS . 16.1 mt -99.47 78.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -148.68 159.32 44.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 92.58 -133.92 11.96 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 19.3 tt -64.72 142.85 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.836 0.351 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.24 61.46 7.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.459 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' CE ' ' HB2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -73.38 90.95 1.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.769 0.319 . . . . 0.0 110.892 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -137.96 117.48 12.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.952 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -141.89 136.11 7.14 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 38' ' ' PHE . 10.3 mt -114.53 114.5 25.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -101.57 130.04 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.3 t -72.77 125.82 28.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.25 17.51 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.5 t -119.18 -57.59 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.428 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 18.2 p -115.05 30.12 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 69' ' ' CYS . 52.6 p 37.63 32.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.428 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 72.0 t80 -85.62 101.08 12.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.481 HG11 ' CG2' ' A' ' 47' ' ' THR . 8.5 p -109.39 125.75 66.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.15 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.457 HG11 ' HB2' ' A' ' 51' ' ' HIS . 30.4 m -143.5 155.61 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.605 ' CD2' HG12 ' A' ' 56' ' ' ILE . 28.5 m80 -34.8 151.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -58.66 -39.33 80.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -77.63 -43.46 31.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 81' ' ' VAL . 20.6 m -51.0 -34.45 29.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.433 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -42.62 -62.95 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -60.02 -28.74 67.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -77.7 -24.55 49.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 77' ' ' CYS . 47.0 t -48.64 144.04 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.123 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.6 t -120.5 -38.2 2.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -47.16 155.17 0.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -108.03 124.87 50.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.455 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 6.0 t -52.11 133.88 40.46 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.579 0.704 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -38.29 8.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.25 -67.59 1.29 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.455 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -38.94 130.14 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.349 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.4 -151.3 17.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.4 mmmm -121.27 100.41 7.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 110.32 120.31 4.14 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.497 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 154.83 67.23 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -93.76 132.45 38.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 14.3 t -75.76 164.33 26.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.073 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -139.66 166.16 25.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -77.55 146.18 72.91 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.599 0.714 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 8.56 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.723 2.282 . . . . 0.0 112.307 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -47.08 150.77 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -149.87 173.68 13.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -117.89 161.12 20.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -50.52 -178.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.823 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.69 161.89 18.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -146.38 157.03 43.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -142.73 150.34 39.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.913 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.1 p -102.6 158.03 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.894 0.378 . . . . 0.0 110.848 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.1 m -62.18 -59.86 4.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -130.62 141.97 13.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.0 m -105.1 107.88 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.895 0.378 . . . . 0.0 110.844 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -67.79 146.91 53.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.841 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 62.42 -157.24 37.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 47.6 m-70 -89.08 176.6 6.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.941 0.4 . . . . 0.0 110.805 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 34.5 mttm -87.13 62.21 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 85.6 m-85 -66.66 159.62 27.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 t -158.06 118.37 3.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.77 122.76 7.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -148.75 121.03 8.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -53.26 121.4 7.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -101.51 135.29 43.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -99.24 -40.48 7.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -95.26 161.28 28.58 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 84.73 0.64 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.699 2.266 . . . . 0.0 112.358 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.816 HG21 HG21 ' A' ' 72' ' ' VAL . 32.9 m -58.85 145.81 39.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.574 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 58.1 t80 -96.53 134.58 39.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.833 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.37 112.31 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.3 m -79.95 37.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -134.9 -53.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.443 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.2 p -115.44 28.89 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.574 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 31.1 m 34.2 53.8 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -123.41 -179.13 4.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 57' ' ' TRP . 5.7 p90 -117.21 129.39 55.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.593 HG12 ' CD2' ' A' ' 74' ' ' HIS . 17.8 mt -87.49 83.68 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.536 ' HB3' ' CD2' ' A' ' 55' ' ' PHE . 53.2 t-105 -150.7 138.31 19.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 164.91 -150.15 17.76 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.502 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 59' ' ' ILE . 4.8 mp -101.58 110.6 28.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 111.147 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.48 37.02 69.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -120.65 139.03 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -138.11 170.92 15.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -129.43 160.55 22.66 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.2 118.39 32.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.8 tt0 -100.77 137.41 39.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.412 ' SG ' ' HB ' ' A' ' 68' ' ' VAL . 12.9 t -79.52 134.41 36.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -88.06 32.21 0.76 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.475 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 29.6 t -134.94 -60.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.407 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 12.7 p -113.77 24.69 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.8 m 44.84 29.39 0.44 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.422 ' CE2' HG11 ' A' ' 73' ' ' VAL . 65.9 t80 -83.64 102.22 12.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.816 HG21 HG21 ' A' ' 47' ' ' THR . 5.4 p -106.69 136.23 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' C ' ' A' ' 74' ' ' HIS . 20.3 m -156.21 152.28 8.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.593 ' CD2' HG12 ' A' ' 56' ' ' ILE . 40.6 m80 -34.76 152.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.6 ttp85 -58.12 -42.6 86.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 14.4 ptt180 -74.46 -45.76 44.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' VAL . 22.7 m -48.23 -33.64 8.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.44 ' CG ' ' N ' ' A' ' 79' ' ' GLU . 1.0 OUTLIER -39.94 -68.54 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.901 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 5.0 pt-20 -50.64 -36.12 33.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.487 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.9 m-85 -68.18 -35.93 78.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 77' ' ' CYS . 90.3 t -43.77 138.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.187 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.44 HG23 ' N ' ' A' ' 83' ' ' PHE . 9.6 t -113.83 -43.03 3.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.44 ' N ' HG23 ' A' ' 82' ' ' THR . 18.4 t80 -45.95 136.94 6.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -90.05 143.95 26.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 8.9 t -65.2 130.13 94.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.627 0.727 . . . . 0.0 110.892 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.407 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 54.1 Cg_endo -69.75 -37.47 9.16 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.668 2.245 . . . . 0.0 112.37 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.475 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -84.8 -53.93 3.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.2 123.81 22.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 111.101 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 105.46 -157.72 16.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.463 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -89.66 -57.91 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 93' ' ' GLN . . . 97.63 117.22 3.6 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 14.12 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.448 ' H ' ' C ' ' A' ' 91' ' ' GLY . 4.8 tt0 -47.93 147.76 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.473 HG23 ' O ' ' A' ' 94' ' ' THR . 10.2 t -44.13 120.78 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.9 p-10 -143.77 170.48 15.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -114.45 80.21 5.9 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.564 0.697 . . . . 0.0 110.894 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.83 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.243 . . . . 0.0 112.314 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -97.59 173.16 7.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -121.83 -58.47 1.74 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -70.27 96.47 1.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' LYS . 2.0 t-160 -117.44 -48.39 2.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' HIS . 32.5 tttt -37.34 147.14 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -128.9 164.14 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.593 ' C ' HD12 ' A' ' 105' ' ' LEU . 56.8 mtt180 -96.56 168.32 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.918 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.593 HD12 ' C ' ' A' ' 104' ' ' ARG . 10.6 mp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 30' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' GLY . 15.8 m -36.29 107.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.868 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 p -121.77 120.23 34.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.886 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -164.36 -156.95 9.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.9 m -115.66 102.58 9.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.0 m -91.54 -46.35 8.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.832 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -84.53 -155.41 22.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.523 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.435 ' CE1' ' HA ' ' A' ' 85' ' ' CYS . 45.9 m-70 -89.99 164.25 14.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.846 0.355 . . . . 0.0 110.863 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -82.34 68.19 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -72.5 133.11 44.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.7 t -139.35 140.12 37.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.599 ' HB1' ' HD3' ' A' ' 61' ' ' LYS . . . -45.54 116.95 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.465 ' HG2' ' CZ ' ' A' ' 43' ' ' PHE . 3.5 tpp180 -132.31 130.82 41.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.31 137.32 37.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' HG2' ' A' ' 41' ' ' ARG . 17.9 m-85 -137.17 110.93 8.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -68.48 -40.93 80.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.461 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 1.2 pt20 -97.56 156.51 36.04 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.613 0.721 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.461 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.7 Cg_endo -69.74 87.03 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.709 2.272 . . . . 0.0 112.294 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.7 m -56.38 152.86 10.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.547 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 35.8 t80 -92.96 121.49 34.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.439 ' SG ' ' HB3' ' A' ' 51' ' ' HIS . 45.6 t -75.43 117.69 17.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.4 t -81.3 38.58 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.439 ' HB3' ' SG ' ' A' ' 49' ' ' CYS . 33.4 t60 -134.72 -51.88 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.5 p -120.29 28.76 7.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.547 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 41.7 p 34.65 50.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 7.4 m-20 -128.87 153.41 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -72.85 156.59 38.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.511 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.8 mt -120.43 95.55 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -149.37 158.29 44.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 134.67 164.16 10.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.442 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 34.6 mt -67.3 109.77 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.844 0.354 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.0 156.18 9.3 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.599 ' HD3' ' HB1' ' A' ' 40' ' ' ALA . 18.1 mtpp -81.6 92.68 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 75' ' ' ARG . 5.6 tp60 -107.3 -10.72 15.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -104.69 114.01 4.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.478 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.6 mt -114.31 115.77 27.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -94.45 121.0 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.3 t -63.34 130.75 45.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -83.78 29.78 0.52 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.46 HG11 ' H ' ' A' ' 88' ' ' ALA . 36.6 t -132.27 -63.45 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 p -109.16 26.04 11.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.9 m 44.61 28.08 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' HG11 ' A' ' 73' ' ' VAL . 88.4 t80 -80.92 105.58 12.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.9 p -105.64 128.67 59.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.097 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.725 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 35.5 m -153.09 155.85 6.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.511 ' CD2' HG12 ' A' ' 56' ' ' ILE . 38.2 m80 -38.28 159.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 62' ' ' GLN . 7.7 ttt85 -63.25 -44.52 94.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 14.7 ptt180 -74.31 -42.93 58.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.638 ' O ' HG23 ' A' ' 81' ' ' VAL . 27.8 m -50.81 -29.19 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.475 ' ND1' ' C ' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -48.05 -61.88 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 4.4 pt-20 -56.52 -35.28 67.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.442 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 21.5 m-85 -67.4 -38.83 85.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 77' ' ' CYS . 97.6 t -43.37 117.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 75.2 p -92.04 -32.46 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.105 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 40.9 t80 -56.49 140.13 47.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -93.04 139.27 30.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.435 ' HA ' ' CE1' ' A' ' 36' ' ' HIS . 8.7 t -59.92 133.61 89.74 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.66 0.743 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -43.36 2.7 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -78.69 -62.43 2.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.499 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -52.66 -47.02 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 111.124 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -95.38 -137.49 9.12 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 91' ' ' GLY . 1.2 tmtp? -74.69 134.24 41.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.865 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.432 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -160.19 -176.01 31.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 147.61 63.58 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.346 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -105.85 -58.15 1.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.3 p -129.86 86.11 2.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.32 151.86 27.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -98.27 109.16 51.1 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -50.64 0.45 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 50.7 mtp180 -149.56 137.74 20.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -74.03 151.43 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 25.1 tttp -99.79 136.06 40.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -144.37 159.09 43.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.71 167.96 20.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -57.87 176.7 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.413 ' HD2' ' C ' ' A' ' 105' ' ' LEU . 4.3 tmm_? -147.17 152.12 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.442 HD23 ' C ' ' A' ' 105' ' ' LEU . 10.2 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.0 m -127.67 -46.09 1.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.4 m -92.13 163.79 13.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.84 -64.06 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.5 m -138.72 170.85 15.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.392 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.1 t -105.28 117.39 33.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -151.51 -173.68 21.57 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.57 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.4 m-70 -80.8 177.67 8.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.859 0.362 . . . . 0.0 110.857 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -85.39 42.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 65.7 m-85 -53.06 151.23 4.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 t -171.54 130.27 0.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -42.19 120.1 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.25 137.92 53.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -76.82 91.21 3.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -93.19 133.82 36.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -99.75 -38.93 8.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -92.75 160.29 34.5 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.63 0.729 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 92.77 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.335 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.424 HG22 ' N ' ' A' ' 48' ' ' PHE . 17.2 m -75.05 156.79 35.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.101 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.424 ' N ' HG22 ' A' ' 47' ' ' THR . 15.4 t80 -108.04 149.66 28.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 48.5 t -90.47 112.21 23.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.555 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . 7.0 t -82.52 36.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.889 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.533 ' HB2' HG11 ' A' ' 73' ' ' VAL . 44.7 t60 -132.8 -48.57 0.88 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.54 23.95 11.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.595 ' O ' HG22 ' A' ' 53' ' ' THR . 25.3 m 37.71 42.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.121 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -124.53 169.35 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -81.05 147.68 30.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' A' ' 74' ' ' HIS . 74.8 mt -97.05 -43.55 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.117 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 43.5 t-105 -64.72 176.51 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.95 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.49 -120.94 1.02 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.461 HG13 ' N ' ' A' ' 60' ' ' GLY . 6.8 pt -80.97 -25.64 10.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.908 0.385 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.461 ' N ' HG13 ' A' ' 59' ' ' ILE . . . 162.64 41.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.531 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mtpt -105.0 136.74 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -120.08 151.25 39.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -110.71 164.69 12.18 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.482 HD13 ' HB3' ' A' ' 38' ' ' PHE . 24.2 mt -103.18 120.99 41.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 0.0 110.908 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.556 ' NE2' ' C ' ' A' ' 70' ' ' SER . 21.1 tp60 -96.67 121.51 38.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 18.2 t -70.94 136.39 48.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -90.82 32.78 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -133.39 -61.93 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.9 p -110.09 19.64 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.556 ' C ' ' NE2' ' A' ' 65' ' ' GLN . 6.7 t 48.36 34.99 5.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CE1' ' HB3' ' A' ' 50' ' ' SER . 24.4 t80 -86.78 101.11 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 72' ' ' VAL . 9.1 p -103.16 117.98 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.147 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.533 HG11 ' HB2' ' A' ' 51' ' ' HIS . 28.2 m -143.11 154.94 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.9 m170 -35.98 154.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -59.93 -48.14 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.468 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 10.9 ptp180 -68.85 -39.55 79.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 21.2 m -55.42 -40.17 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.541 ' ND1' ' CD2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.55 -71.64 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 6.9 pt-20 -48.89 -36.43 17.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.471 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 24.1 m-85 -69.13 -30.51 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 70.8 t -42.35 119.42 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.0 p -89.48 -46.26 8.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.416 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 24.7 t80 -59.29 134.89 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.416 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 9.9 tt0 -84.26 166.39 17.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.4 t -78.11 132.42 67.03 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.622 0.725 . . . . 0.0 110.891 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -39.91 5.99 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.61 -56.51 5.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.452 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.0 -48.48 78.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.324 . . . . 0.0 111.106 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 40.63 65.02 1.08 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -87.51 95.05 9.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.856 0.36 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.07 -133.2 6.06 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.518 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 170.98 15.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.354 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.47 157.92 36.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 90.0 m -137.89 142.65 40.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -61.36 134.97 57.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -54.36 115.84 9.37 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.605 0.716 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 8.13 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.659 2.239 . . . . 0.0 112.281 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.9 mmm-85 -66.33 120.33 13.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.839 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 100' ' ' LYS . 24.0 p30 -149.44 171.31 16.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 99' ' ' ASN . 55.7 mmtt -36.4 120.13 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -98.3 168.09 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -89.39 165.76 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -108.93 174.18 5.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -112.08 176.09 5.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.467 HD23 ' C ' ' A' ' 105' ' ' LEU . 3.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 p -107.43 102.47 11.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.898 0.38 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.0 t -169.58 156.65 6.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.879 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 173.69 -48.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -66.74 -44.6 81.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -87.58 116.5 25.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 70.65 152.85 0.95 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -83.91 178.38 7.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.367 . . . . 0.0 110.835 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -79.28 43.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.9 m-85 -50.65 146.5 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.446 HG23 ' O ' ' A' ' 39' ' ' THR . 9.0 t -157.47 124.42 5.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.14 128.81 29.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.9 ptm180 -150.34 162.86 39.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -85.64 146.59 26.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' H ' ' CD ' ' A' ' 61' ' ' LYS . 5.5 m-85 -134.36 127.15 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -88.77 -45.37 9.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -87.19 153.72 54.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.584 ' HB2' ' CE3' ' A' ' 57' ' ' TRP . 53.4 Cg_endo -69.78 86.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.637 2.225 . . . . 0.0 112.339 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.504 ' CG2' HG11 ' A' ' 72' ' ' VAL . 45.8 m -65.35 153.18 41.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.513 ' CE2' ' HA ' ' A' ' 53' ' ' THR . 16.5 t80 -108.78 148.06 31.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 49.3 t -87.28 110.24 20.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.5 m -79.72 38.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -134.14 -53.08 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.447 ' O ' ' C ' ' A' ' 53' ' ' THR . 24.3 p -117.0 28.55 8.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.513 ' HA ' ' CE2' ' A' ' 48' ' ' PHE . 8.9 t 33.1 52.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.427 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 4.0 m-20 -130.22 161.38 31.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.43 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 37.2 p90 -75.31 158.2 33.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 74' ' ' HIS . 70.2 mt -109.89 -41.08 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.584 ' CE3' ' HB2' ' A' ' 46' ' ' PRO . 22.3 p90 -63.31 154.36 31.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 157.11 -79.59 0.18 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.5 mm -93.72 -48.0 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 111.114 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -157.2 -173.06 25.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.521 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' CD ' ' H ' ' A' ' 43' ' ' PHE . 2.0 mtmp? -91.58 95.7 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.746 0.308 . . . . 0.0 110.871 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -122.87 44.84 2.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -115.85 110.11 2.15 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 22.1 mt -90.44 125.11 35.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.713 0.292 . . . . 0.0 110.956 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -106.14 147.91 28.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 32.8 t -92.68 133.01 36.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -83.95 29.01 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.869 HG11 ' H ' ' A' ' 88' ' ' ALA . 32.7 t -133.39 -59.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.0 p -112.36 25.55 11.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 69' ' ' CYS . 5.1 m 36.83 37.98 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.545 ' CE2' HG11 ' A' ' 73' ' ' VAL . 49.8 t80 -89.97 101.89 14.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.504 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.1 p -99.45 135.15 35.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.545 HG11 ' CE2' ' A' ' 71' ' ' PHE . 21.8 m -154.1 153.6 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CD2' HG12 ' A' ' 56' ' ' ILE . 31.5 m170 -38.34 158.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.829 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -65.73 -44.83 84.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.446 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 6.4 ptp180 -69.05 -42.01 76.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.446 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 72.6 m -56.56 -34.87 67.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.631 ' CD2' ' CD2' ' A' ' 38' ' ' PHE . 3.1 t-160 -35.03 -72.82 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' CG ' ' N ' ' A' ' 80' ' ' PHE . 10.1 pt-20 -47.01 -48.6 21.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.428 ' N ' ' CG ' ' A' ' 79' ' ' GLU . 45.9 m-85 -51.78 -44.5 63.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 80' ' ' PHE . 88.8 t -35.67 125.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.112 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.4 p -107.23 -44.4 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -42.04 141.71 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -91.47 138.98 31.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 12.2 t -61.58 133.6 93.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.622 0.725 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -40.07 5.67 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.68 2.253 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.463 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -86.36 -72.48 1.29 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.48 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.869 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -44.2 148.99 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 0.0 111.15 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.21 72.14 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -79.98 42.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.07 161.92 23.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -7.9 22.22 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.669 2.246 . . . . 0.0 112.364 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -80.83 42.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 81.9 p -43.8 144.98 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.26 168.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.455 ' C ' ' H ' ' A' ' 98' ' ' ARG . 5.5 m-20 -45.6 150.86 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.592 0.71 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 98' ' ' ARG . 54.0 Cg_endo -69.72 16.96 0.2 Allowed 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.715 2.276 . . . . 0.0 112.354 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.508 ' C ' ' O ' ' A' ' 97' ' ' PRO . 14.8 mtp-105 -28.04 117.88 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -68.51 169.37 11.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -67.29 178.14 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -37.95 156.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.837 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.8 ttpp -48.67 162.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 5.3 p90 -106.74 178.52 4.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 105' ' ' LEU . 16.2 ttm180 -42.39 150.94 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.47 ' N ' ' HG2' ' A' ' 104' ' ' ARG . 10.5 tp . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 53.1 p -121.08 176.43 5.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 t 41.95 42.72 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.2 179.84 17.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.5 t -137.28 139.29 40.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.8 m -117.15 161.57 19.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.42 -172.75 18.92 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.474 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 13.7 m-70 -76.13 175.6 8.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -83.12 44.83 0.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.604 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 72.9 m-85 -51.23 148.59 4.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.3 t -153.57 147.04 24.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.57 127.69 33.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 41' ' ' ARG . 15.4 ttm180 -150.71 143.26 24.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -75.02 125.98 30.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -118.12 106.8 13.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.831 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -38.48 55.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -92.18 153.65 43.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.625 0.726 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 85.6 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.665 2.244 . . . . 0.0 112.316 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.609 HG22 ' H ' ' A' ' 48' ' ' PHE . 8.5 m -55.06 169.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.609 ' H ' HG22 ' A' ' 47' ' ' THR . 73.0 t80 -115.45 116.25 27.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 46.5 t -74.57 112.81 11.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.51 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.0 m -77.86 38.71 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -134.84 -48.05 0.74 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.417 ' O ' ' C ' ' A' ' 53' ' ' THR . 21.0 p -120.11 26.04 9.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 52' ' ' CYS . 54.6 p 36.26 51.01 0.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -125.92 171.57 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -100.13 151.77 21.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.592 HG12 ' CD2' ' A' ' 74' ' ' HIS . 18.0 mt -114.69 93.78 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 p90 -144.21 179.09 7.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.988 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.21 123.17 2.52 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 ' N ' HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -39.42 136.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 111.107 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.21 -43.95 2.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' A' ' 74' ' ' HIS . 21.8 tttt -77.64 103.72 7.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.747 0.308 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -116.38 172.56 7.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.11 175.18 19.3 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD11 ' HG2' ' A' ' 75' ' ' ARG . 5.9 mt -128.95 111.29 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.752 0.31 . . . . 0.0 110.929 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.45 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 12.1 tp60 -88.89 132.89 34.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -81.0 130.59 35.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -83.93 29.92 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 41.1 t -131.77 -59.93 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 17.8 p -115.37 27.02 9.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.6 m 41.19 31.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CE1' HG11 ' A' ' 73' ' ' VAL . 48.2 t80 -87.95 106.94 18.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.569 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.8 p -108.39 139.5 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.126 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 71' ' ' PHE . 31.0 m -159.92 150.22 6.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' HG12 ' A' ' 56' ' ' ILE . 35.4 m80 -39.8 161.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.508 ' HG2' HD11 ' A' ' 64' ' ' LEU . 18.8 mtm180 -62.49 -37.62 86.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.906 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.471 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptm85 -73.32 -44.47 58.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.761 ' O ' HG23 ' A' ' 81' ' ' VAL . 57.9 m -60.61 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.604 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.1 OUTLIER -46.58 -73.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -48.68 -47.94 40.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -50.39 -42.35 53.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 77' ' ' CYS . 75.6 t -39.58 118.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.14 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 8.8 t -96.53 -39.25 9.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.478 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 36.2 t80 -42.98 157.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 0.9 OUTLIER -110.49 123.18 49.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.62 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 6.5 t -48.76 133.83 14.11 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.674 0.75 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -33.27 16.99 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -87.51 -55.02 2.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.62 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -53.72 105.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.862 0.363 . . . . 0.0 111.054 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.47 151.86 9.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -42.18 126.07 3.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.44 170.5 26.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.527 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -24.11 29.89 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.646 2.231 . . . . 0.0 112.334 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -67.91 122.87 19.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 48.5 m -58.75 102.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -76.57 160.03 29.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -91.98 107.43 22.78 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.567 0.698 . . . . 0.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -20.9 34.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.07 140.81 37.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -123.22 163.45 20.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -40.11 116.45 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -51.82 134.64 30.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 ptmt -126.27 162.48 25.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -54.85 169.29 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -75.86 170.8 15.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.477 ' C ' HD12 ' A' ' 105' ' ' LEU . 4.1 pp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 m -83.76 142.54 30.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.89 0.376 . . . . 0.0 110.887 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.2 t -46.03 -62.98 1.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.87 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -135.88 71.3 0.49 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.6 t -145.81 110.23 5.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.5 m -95.33 148.04 22.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 152.87 166.66 14.6 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.481 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.437 ' HB2' ' CE2' ' A' ' 38' ' ' PHE . 16.2 m-70 -55.01 172.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -79.04 69.95 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.437 ' CE2' ' HB2' ' A' ' 36' ' ' HIS . 61.8 m-85 -79.47 139.45 37.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.8 t -149.33 121.44 8.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.125 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.97 125.02 19.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -147.89 167.1 25.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -85.04 134.04 34.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -117.09 125.22 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.882 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? -79.76 -40.97 27.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 pm0 -100.72 154.92 36.9 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.629 0.728 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 79.0 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.695 2.264 . . . . 0.0 112.331 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.791 ' CG2' HG11 ' A' ' 72' ' ' VAL . 6.5 m -49.13 156.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.156 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 54' ' ' ASP . 13.4 t80 -112.86 143.85 43.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.7 t -87.44 109.85 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 t -80.42 38.55 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.52 ' CE1' ' HB3' ' A' ' 80' ' ' PHE . 11.7 t60 -134.7 -48.23 0.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 25.8 p -114.59 19.97 15.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.438 ' O ' HG22 ' A' ' 53' ' ' THR . 18.3 m 41.94 52.61 4.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 48' ' ' PHE . 51.0 m-20 -128.47 166.48 18.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.09 139.29 34.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.572 HG12 ' CD2' ' A' ' 74' ' ' HIS . 12.2 mt -100.32 70.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 68.6 t-105 -150.65 148.1 28.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 141.41 -144.52 14.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.527 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 47.9 mt -48.47 -62.14 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 111.134 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -114.97 114.59 3.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.07 92.52 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.74 0.305 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -115.82 107.75 15.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.931 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -142.22 124.85 2.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.837 HD11 ' HD3' ' A' ' 75' ' ' ARG . 20.8 mt -106.79 115.2 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -99.48 144.21 28.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -84.69 135.14 34.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -85.04 29.14 0.66 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.641 HG11 ' H ' ' A' ' 88' ' ' ALA . 36.2 t -134.37 -59.66 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.433 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 24.3 p -111.73 25.65 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 77.6 p 39.95 32.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CZ ' HG11 ' A' ' 73' ' ' VAL . 91.0 t80 -84.68 109.97 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.791 HG11 ' CG2' ' A' ' 47' ' ' THR . 9.7 p -106.82 140.79 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.596 HG11 ' CZ ' ' A' ' 71' ' ' PHE . 33.7 m -157.95 151.58 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 56' ' ' ILE . 32.0 m80 -43.04 167.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.837 ' HD3' HD11 ' A' ' 64' ' ' LEU . 7.5 mmt180 -67.61 -48.16 67.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 4.0 ptp180 -70.51 -41.27 72.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 30.4 m -53.44 -29.27 34.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -40.59 -68.15 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -49.48 -42.22 42.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.52 ' HB3' ' CE1' ' A' ' 51' ' ' HIS . 61.5 m-85 -59.25 -38.14 79.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' PHE . 92.7 t -37.64 117.96 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.154 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 65.0 p -100.93 -47.16 4.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.171 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.475 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 44.5 t80 -42.97 151.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 8.2 mm-40 -104.26 132.45 50.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 10.5 t -55.37 133.71 70.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.628 0.728 . . . . 0.0 110.855 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.433 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.7 Cg_endo -69.74 -41.12 4.58 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.71 2.273 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -85.89 -72.94 1.28 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.641 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -39.41 143.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.103 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 122.2 -111.58 1.83 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.519 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.44 129.55 55.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.35 80.4 0.2 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.49 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -23.99 30.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.719 2.279 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -136.21 148.86 48.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 23.5 p -149.74 171.08 17.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -78.18 136.75 37.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 98' ' ' ARG . 3.0 p30 -126.74 141.45 40.39 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 10.7 0.46 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.68 2.254 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' H ' ' C ' ' A' ' 96' ' ' ASP . 11.9 ttt-85 -69.51 90.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -84.23 174.86 9.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 41.3 mttt -39.48 119.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.8 p80 -55.77 117.67 3.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.819 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -40.69 127.47 2.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -82.82 135.3 35.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.2 ttp85 -45.39 144.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.0 t -66.7 -55.49 14.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.9 0.381 . . . . 0.0 110.865 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.3 p -50.31 154.4 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.824 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 43.42 87.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.503 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.8 p -116.31 104.97 12.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.884 0.373 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.8 m -154.3 172.56 17.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.818 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.5 -166.96 29.59 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.483 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -82.59 164.37 20.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -80.19 75.4 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.412 ' CD2' ' CD2' ' A' ' 78' ' ' HIS . 62.4 m-85 -78.7 133.51 37.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 t -135.5 115.17 12.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.12 128.25 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 -154.16 128.91 9.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.486 ' CE2' ' HE3' ' A' ' 61' ' ' LYS . 8.3 m-85 -56.92 136.75 55.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -120.63 125.15 47.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.883 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -85.51 -39.94 16.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -99.81 153.95 37.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.616 0.722 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 86.77 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.652 2.234 . . . . 0.0 112.341 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.672 HG21 HG11 ' A' ' 72' ' ' VAL . 24.7 m -55.61 162.01 1.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.564 ' CZ ' ' HA ' ' A' ' 53' ' ' THR . 47.1 t80 -107.91 123.25 48.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 28.1 t -77.34 114.62 16.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.1 m -79.99 34.2 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -134.5 -42.74 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.8 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.49 ' O ' ' C ' ' A' ' 53' ' ' THR . 27.8 p -122.78 28.7 7.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.867 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 48' ' ' PHE . 36.3 p 30.65 43.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.157 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -125.37 156.61 38.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -85.78 140.12 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.507 HG12 ' CD2' ' A' ' 74' ' ' HIS . 32.2 mt -92.44 79.37 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.42 ' CG ' ' N ' ' A' ' 58' ' ' GLY . 70.0 t-105 -150.12 166.81 28.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' C ' ' A' ' 59' ' ' ILE . . . 84.8 -91.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.495 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 58' ' ' GLY . 15.4 tt -33.26 -42.34 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.837 0.351 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.45 ' N ' HG23 ' A' ' 59' ' ' ILE . . . 156.07 -176.6 33.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HE3' ' CE2' ' A' ' 42' ' ' PHE . 31.6 mtmm -84.09 78.47 9.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.312 . . . . 0.0 110.931 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -116.27 46.38 1.59 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -107.53 107.15 2.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.499 HD11 ' HG2' ' A' ' 75' ' ' ARG . 11.3 mt -106.04 109.98 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.702 0.286 . . . . 0.0 110.925 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -92.12 141.41 28.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.3 t -83.88 131.99 34.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -83.16 31.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.493 ' CG1' ' HA3' ' A' ' 87' ' ' GLY . 21.9 t -133.72 -59.99 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.459 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 7.5 p -115.18 26.62 9.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 16.6 m 43.0 30.89 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.459 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 33.2 t80 -84.72 102.5 13.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.88 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.672 HG11 HG21 ' A' ' 47' ' ' THR . 8.3 p -107.67 131.93 56.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.125 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 74' ' ' HIS . 27.3 m -150.75 153.14 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CD2' HG12 ' A' ' 56' ' ' ILE . 49.2 m80 -39.06 159.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.499 ' HG2' HD11 ' A' ' 64' ' ' LEU . 32.9 mtt180 -60.48 -50.5 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 3.0 ptt-85 -65.98 -38.21 87.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 34.3 m -57.43 -31.94 66.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.474 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.1 OUTLIER -43.13 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 9.4 pt-20 -44.88 -40.06 5.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.5 ' N ' ' HG3' ' A' ' 79' ' ' GLU . 39.8 m-85 -62.62 -36.19 81.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.7 t -38.52 133.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 44.6 p -117.64 -42.99 2.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -43.24 140.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -90.8 120.1 31.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 7.3 t -48.28 133.83 12.65 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.673 0.749 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.434 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.4 Cg_endo -69.76 -47.91 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.718 2.279 . . . . 0.0 112.326 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.493 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -69.87 -66.45 2.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.517 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -51.46 147.69 5.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.813 0.339 . . . . 0.0 111.101 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.74 -157.47 52.59 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -97.27 143.03 28.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -126.74 -166.11 12.1 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 178.71 4.33 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -53.33 147.21 10.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 26.3 m -49.15 142.49 6.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.103 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -140.48 153.96 46.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' A' ' 97' ' ' PRO . 8.0 m-20 -105.44 99.98 23.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.586 0.708 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 96' ' ' ASP . 53.9 Cg_endo -69.78 -27.13 26.74 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 74.5 mtm180 -89.81 40.18 0.99 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -55.67 -35.25 65.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.35 166.0 10.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -104.51 153.91 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -75.79 155.62 35.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -142.06 174.37 10.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -109.12 140.61 42.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.439 HD23 ' C ' ' A' ' 105' ' ' LEU . 10.3 tt . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.539 -0.224 . . . . 0.0 112.539 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.2 t -81.77 108.69 15.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 56.9 p -96.48 41.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.76 -171.62 37.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 34' ' ' SER . 88.1 p -80.63 45.77 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.905 0.383 . . . . 0.0 110.835 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 33' ' ' SER . 74.1 m -35.2 139.27 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 -179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.11 166.13 23.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.489 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -63.04 174.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -91.53 82.76 5.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.601 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 78.0 m-85 -83.16 147.82 27.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 39' ' ' THR . 8.9 t -147.7 121.61 9.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.23 129.19 39.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -152.42 139.82 19.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -70.94 127.14 31.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -109.94 100.33 9.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -62.19 -39.64 93.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' CD ' ' HD2' ' A' ' 46' ' ' PRO . 5.5 mm100 -98.83 161.49 24.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.452 ' HD2' ' CD ' ' A' ' 45' ' ' GLN . 53.4 Cg_endo -69.77 115.47 4.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.808 HG21 HG21 ' A' ' 72' ' ' VAL . 7.1 m -89.26 166.19 13.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' N ' HG22 ' A' ' 47' ' ' THR . 27.6 t80 -119.08 146.63 44.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.826 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 38.3 t -95.03 109.49 21.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.2 p -80.26 39.96 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -134.91 -53.58 0.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' O ' ' C ' ' A' ' 53' ' ' THR . 26.7 p -112.53 23.6 13.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.52 ' O ' HG22 ' A' ' 53' ' ' THR . 25.1 m 35.21 50.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 12.1 t70 -130.95 161.76 31.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 57' ' ' TRP . 9.2 p90 -75.38 148.81 38.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.615 HG12 ' CD2' ' A' ' 74' ' ' HIS . 49.3 mt -100.26 -37.01 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.163 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.547 ' CZ3' ' HE2' ' A' ' 61' ' ' LYS . 40.8 t-105 -61.55 134.58 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.49 -139.82 6.79 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.2 mm -63.35 93.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.856 0.36 . . . . 0.0 111.118 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.36 166.98 31.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.547 ' HE2' ' CZ3' ' A' ' 57' ' ' TRP . 28.0 mmtp -117.99 92.12 3.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.755 0.312 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 75' ' ' ARG . 58.3 mt-30 -121.92 90.21 3.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -143.93 109.25 0.53 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.554 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.909 HD11 ' HD2' ' A' ' 75' ' ' ARG . 18.1 mt -112.86 112.53 24.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.317 . . . . 0.0 110.905 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -96.4 124.82 40.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.97 131.1 45.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -81.98 29.53 0.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.49 HG11 ' H ' ' A' ' 88' ' ' ALA . 27.1 t -132.08 -58.2 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.485 ' HB3' ' CG ' ' A' ' 86' ' ' PRO . 6.3 p -114.1 22.86 13.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 49.8 m 45.1 32.97 0.98 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.53 ' CE2' HG11 ' A' ' 73' ' ' VAL . 26.2 t80 -83.92 104.09 13.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 47' ' ' THR . 3.1 p -106.67 129.17 60.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.133 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.53 HG11 ' CE2' ' A' ' 71' ' ' PHE . 33.1 m -148.79 159.03 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.615 ' CD2' HG12 ' A' ' 56' ' ' ILE . 29.0 m80 -46.42 150.57 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.909 ' HD2' HD11 ' A' ' 64' ' ' LEU . 4.7 mmm180 -56.96 -21.74 32.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -87.7 -45.09 10.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 24.4 m -60.71 -32.71 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.601 ' ND1' ' CE2' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -38.41 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 78' ' ' HIS . 13.9 pt-20 -46.4 -45.13 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' O ' ' C ' ' A' ' 81' ' ' VAL . 28.9 m-85 -55.96 -38.37 70.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 80' ' ' PHE . 83.6 t -36.97 124.14 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -110.03 -36.85 5.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.463 ' CZ ' ' O ' ' A' ' 84' ' ' GLU . 22.4 t80 -45.5 140.41 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.84 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.463 ' O ' ' CZ ' ' A' ' 83' ' ' PHE . 12.0 tt0 -84.82 137.08 33.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.761 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 9.1 t -65.53 133.3 95.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.616 0.722 . . . . 0.0 110.923 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.485 ' CG ' ' HB3' ' A' ' 69' ' ' CYS . 53.9 Cg_endo -69.76 -46.23 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.658 2.239 . . . . 0.0 112.344 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -75.99 -51.77 6.75 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.761 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -50.68 122.14 6.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.856 0.36 . . . . 0.0 111.08 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 154.75 -71.18 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 91' ' ' GLY . 43.5 tptt -104.96 88.88 2.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 90' ' ' LYS . . . -34.8 100.91 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 134.89 29.2 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -56.14 111.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 43.7 p -141.37 148.4 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -67.48 88.22 0.21 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.454 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.1 p30 -60.64 115.5 13.98 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.572 0.701 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.8 Cg_endo -69.77 15.45 0.23 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.722 2.281 . . . . 0.0 112.289 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.472 ' C ' ' O ' ' A' ' 97' ' ' PRO . 38.7 ttp180 -33.03 146.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.851 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -62.38 143.25 57.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -60.38 160.2 9.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -46.65 125.02 6.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.824 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -54.32 161.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -113.64 131.97 55.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 17.7 mmt85 -47.77 164.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.812 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 t -162.12 115.22 1.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.857 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.1 m -42.22 139.6 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 154.07 59.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.529 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.3 t -155.72 147.63 23.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 m -107.95 146.21 32.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 110.21 177.96 20.88 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -55.81 174.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 0.0 110.88 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -87.7 76.16 8.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.468 ' CE2' ' ND1' ' A' ' 78' ' ' HIS . 26.4 m-85 -82.57 130.16 35.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 39' ' ' THR . 9.7 t -131.76 108.82 9.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HA ' HD23 ' A' ' 64' ' ' LEU . . . -42.93 122.99 2.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.3 ptm180 -154.61 134.22 12.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.821 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 18.5 p90 -65.6 143.45 57.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -117.61 123.71 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 45' ' ' GLN . 26.7 pttt -80.88 -40.12 25.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 44' ' ' LYS . 37.3 mt-30 -94.23 157.48 37.5 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.584 0.707 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 85.5 0.62 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.72 ' CG2' HG11 ' A' ' 72' ' ' VAL . 16.6 m -69.67 145.89 52.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.48 ' CZ ' ' C ' ' A' ' 53' ' ' THR . 17.7 t80 -104.54 147.83 27.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.7 t -89.21 110.74 21.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.9 m -79.8 38.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 30.8 t60 -133.18 -52.08 0.89 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.807 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.432 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 22.5 p -112.68 23.73 13.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.48 ' C ' ' CZ ' ' A' ' 48' ' ' PHE . 9.8 t 38.13 49.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 35.5 m-20 -130.6 162.72 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -84.22 154.32 23.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.569 HG12 ' CD2' ' A' ' 74' ' ' HIS . 23.6 mt -104.21 -44.29 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.596 ' CE3' ' HD3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -58.0 135.25 56.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 143.64 -113.33 0.75 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG23 ' O ' ' A' ' 59' ' ' ILE . 6.2 tt -65.54 78.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.106 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.79 94.52 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.483 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.596 ' HD3' ' CE3' ' A' ' 57' ' ' TRP . 32.3 mtmt -57.29 112.16 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.469 ' HB3' ' CD ' ' A' ' 75' ' ' ARG . 8.1 mm-40 -149.0 111.81 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.99 147.29 17.81 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 40' ' ' ALA . 22.1 mt -118.83 112.62 19.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.777 0.323 . . . . 0.0 110.943 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -96.24 137.96 34.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.3 t -81.03 134.88 35.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -83.06 24.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -129.92 -59.25 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 70' ' ' SER . 15.3 p -112.99 29.38 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 69' ' ' CYS . 16.5 m 33.96 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' CYS . 46.8 t80 -88.35 103.83 16.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.72 HG11 ' CG2' ' A' ' 47' ' ' THR . 8.7 p -104.29 131.84 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' A' ' 71' ' ' PHE . 34.2 m -152.07 151.52 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.106 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' A' ' 56' ' ' ILE . 26.3 m80 -41.3 164.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -63.02 -50.27 71.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.526 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 5.7 ptp180 -62.03 -32.28 72.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.669 ' O ' HG23 ' A' ' 81' ' ' VAL . 21.5 m -68.93 -42.86 76.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.505 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -36.75 -66.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 80' ' ' PHE . 14.4 pt-20 -55.46 -49.12 73.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' ' 76' ' ' ARG . 17.5 m-85 -51.58 -36.18 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 77' ' ' CYS . 72.3 t -45.23 135.35 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 81.5 p -117.92 -43.39 2.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.17 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 84' ' ' GLU . 8.4 t80 -37.03 146.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.446 ' N ' ' CD1' ' A' ' 83' ' ' PHE . 8.0 pt-20 -96.99 117.36 30.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.627 ' HB3' ' HB3' ' A' ' 88' ' ' ALA . 7.2 t -41.02 134.64 1.74 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 83' ' ' PHE . 53.8 Cg_endo -69.76 -48.21 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.696 2.264 . . . . 0.0 112.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.63 -46.92 22.85 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.454 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.627 ' HB3' ' HB3' ' A' ' 85' ' ' CYS . . . -71.17 -54.71 10.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.26 170.34 30.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -117.39 91.58 3.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 0.0 110.924 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 57.24 -130.44 50.99 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 152.46 69.1 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.26 . . . . 0.0 112.341 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 26.1 mp0 -91.76 144.35 25.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 24.5 m -82.08 153.7 25.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -81.6 125.89 31.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.452 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.2 p-10 -45.59 120.42 4.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.608 0.718 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 98' ' ' ARG . 53.9 Cg_endo -69.7 15.33 0.23 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.688 2.259 . . . . 0.0 112.36 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.5 ' C ' ' O ' ' A' ' 97' ' ' PRO . 7.8 ptp85 -30.11 142.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.821 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -108.66 -177.99 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.0 pttm -59.25 178.77 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -45.83 170.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.835 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -76.02 164.24 26.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.436 ' CD2' ' N ' ' A' ' 104' ' ' ARG . 34.3 t80 -87.92 175.57 7.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.436 ' N ' ' CD2' ' A' ' 103' ' ' PHE . 2.0 ttt180 -53.59 169.98 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.517 ' C ' HD13 ' A' ' 105' ' ' LEU . 1.1 tm? . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.9 p -67.86 100.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.371 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.61 158.49 2.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.887 -179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 115.73 -131.04 9.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.9 t -80.96 145.17 31.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 95.8 p -128.67 135.84 49.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -57.55 165.78 6.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -49.97 171.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.844 0.354 . . . . 0.0 110.801 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -78.65 43.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.447 ' CD2' ' CG ' ' A' ' 78' ' ' HIS . 47.0 m-85 -51.05 121.42 6.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 39' ' ' THR . 9.5 t -133.96 120.6 20.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.24 124.26 18.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.58 ' HD2' ' CZ ' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -144.87 150.47 37.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -68.19 131.04 44.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.58 ' CZ ' ' HD2' ' A' ' 41' ' ' ARG . 3.4 m-85 -117.94 151.5 37.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.6 tttp -114.36 -44.94 3.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.419 ' HB2' ' HD2' ' A' ' 46' ' ' PRO . 7.7 pt20 -94.11 155.11 40.4 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 45' ' ' GLN . 53.5 Cg_endo -69.81 81.56 0.82 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.639 ' CG2' HG11 ' A' ' 72' ' ' VAL . 32.4 m -50.32 160.72 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.148 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.524 ' N ' HG22 ' A' ' 47' ' ' THR . 6.3 t80 -104.87 125.76 51.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -84.13 104.54 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.6 m -77.17 39.14 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.407 ' HB2' HG11 ' A' ' 73' ' ' VAL . 19.6 t60 -133.94 -48.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' A' ' 54' ' ' ASP . 26.8 p -122.23 28.0 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.597 ' O ' HG22 ' A' ' 53' ' ' THR . 57.3 m 37.46 53.17 1.34 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' HB2' ' SG ' ' A' ' 52' ' ' CYS . 25.7 m-20 -135.18 160.17 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -89.48 148.72 23.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.596 HG12 ' CD2' ' A' ' 74' ' ' HIS . 63.2 mt -108.03 91.98 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 29.8 t-105 -145.6 149.68 34.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 145.42 171.82 15.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.4 mp -95.19 116.14 35.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.42 -79.15 0.29 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.4 mmtp -74.03 130.0 38.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.766 0.317 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -117.6 175.26 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.482 ' CA ' HG21 ' A' ' 56' ' ' ILE . . . -99.57 138.7 14.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.464 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 19.9 mt -95.99 114.28 25.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.738 0.304 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.419 ' CD ' ' HB ' ' A' ' 72' ' ' VAL . 3.1 tp-100 -96.15 142.08 28.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 28.5 t -88.4 136.25 33.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -89.68 30.85 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.681 HG11 ' H ' ' A' ' 88' ' ' ALA . 40.0 t -133.17 -65.88 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.158 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 71' ' ' PHE . 9.7 p -107.35 25.04 11.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.2 m 45.51 29.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.424 ' HB2' ' SG ' ' A' ' 69' ' ' CYS . 65.8 t80 -83.78 106.84 15.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.83 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.639 HG11 ' CG2' ' A' ' 47' ' ' THR . 7.3 p -113.96 127.66 71.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 74' ' ' HIS . 27.1 m -145.25 153.75 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.596 ' CD2' HG12 ' A' ' 56' ' ' ILE . 34.7 m80 -34.31 152.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 78' ' ' HIS . 30.6 ttt180 -53.51 -48.31 69.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 77' ' ' CYS . 26.9 ptt-85 -69.24 -50.54 46.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.445 ' N ' ' HG3' ' A' ' 76' ' ' ARG . 20.4 m -41.47 -39.46 1.53 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.511 ' C ' ' ND1' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -41.09 -71.44 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -43.82 -38.53 3.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.413 ' HB2' ' O ' ' A' ' 77' ' ' CYS . 24.6 m-85 -69.04 -35.84 77.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 78' ' ' HIS . 76.2 t -41.67 132.7 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 39.9 p -114.54 -44.06 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -43.1 122.38 2.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -73.6 133.85 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.9 t -58.19 133.62 84.43 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.613 0.721 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -52.57 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.453 ' HA3' ' CG1' ' A' ' 68' ' ' VAL . . . -66.07 -89.55 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.477 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.681 ' H ' HG11 ' A' ' 68' ' ' VAL . . . -33.79 150.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.054 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 120.73 124.69 3.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -113.0 85.92 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -148.85 -108.56 0.49 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.492 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 143.37 50.39 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.723 2.282 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -50.26 139.15 15.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 92.1 m -122.34 146.44 47.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -103.43 81.18 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 98' ' ' ARG . 1.3 p-10 -136.52 154.71 76.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.554 0.692 . . . . 0.0 110.859 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 98' ' ' ARG . 54.2 Cg_endo -69.73 20.52 0.18 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.659 2.239 . . . . 0.0 112.335 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.471 ' H ' ' C ' ' A' ' 96' ' ' ASP . 9.7 ptm180 -32.86 150.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -64.72 120.76 13.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 29.1 tttm -55.25 116.67 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -123.11 143.34 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -63.25 138.34 58.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -95.72 177.18 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -128.09 156.13 43.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.825 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 105' ' ' LEU . 5.0 tt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_